Ethyl 5-(acetyloxy)-1,2-dimethyl-1H-indole-3-carboxylate
Ethyl 5-(acetyloxy)-1,2-dimethyl-1H-indole-3-carboxylate structure
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Common Name | Ethyl 5-(acetyloxy)-1,2-dimethyl-1H-indole-3-carboxylate | ||
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| CAS Number | 40945-79-7 | Molecular Weight | 275.300 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 414.1±40.0 °C at 760 mmHg | |
| Molecular Formula | C15H17NO4 | Melting Point | 124-128ºC | |
| MSDS | N/A | Flash Point | 204.2±27.3 °C | |
Summary: Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate (CAS number: 40945-79-7, molecular formula: C15H17NO4, molecular weight: 275.300), with melting point 124-128°C and boiling point 414.1±40.0 °C, density 1.2±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 414.1±40.0 °C at 760 mmHg |
| Melting Point | 124-128ºC |
| Molecular Formula | C15H17NO4 |
| Molecular Weight | 275.300 |
| Flash Point | 204.2±27.3 °C |
| Exact Mass | 275.115753 |
| PSA | 57.53000 |
| LogP | 2.85 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.553 |
| InChIKey | AEWNSBCPMQKSLN-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1c(C)n(C)c2ccc(OC(C)=O)cc12 |
| Storage condition | 2-8℃ |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
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| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Ethyl 5-(acetyl... CAS#:40945-79-7 |
| Literature: Shenyang Pharmaceutical University Patent: EP1731506 A1, 2006 ; Location in patent: Page/Page column 12; 16 ; |
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Ethyl 5-(acetyl... CAS#:40945-79-7 |
| Literature: Brancato, Virginia; Peduto, Antonella; Wharton, Stephen; Martin, Stephen; More, Vijaykumar; Di Mola, Antonia; Massa, Antonio; Perfetto, Brunella; Donnarumma, Giovanna; Schiraldi, Chiara; Tufano, Maria Antonietta; de Rosa, Mario; Filosa, Rosanna; Hay, Alan Antiviral Research, 2013 , vol. 99, # 2 p. 125 - 135 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Ethyl 5-(acetyloxy)-1,2-dimethyl-1H-indole-3-carboxylate |
| 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-1,2-dimethyl-, ethyl ester |
| 5-Acetoxy-1,2-dimethyl-1H-indole-3-carboxylic acid ethyl ester |
| Ethyl 5-acetoxy-1,2-dimethyl-1H-indole-3-carboxylate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the storage conditions for Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate? |
| A: Storage conditions for Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate: 2-8℃. |
| Q: What is the LogP of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate? |
| A: LogP of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate is 2.85. |
| Q: What is the polar surface area (PSA) of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate? |
| A: Polar surface area (PSA) of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate is 57.53000. |
| Q: What English synonyms does Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate have? |
| A: English synonyms of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate: Ethyl 5-(acetyloxy)-1,2-dimethyl-1H-indole-3-carboxylate, 1H-Indole-3-carboxylic acid, 5-(acetyloxy)-1,2-dimethyl-, ethyl ester, 5-Acetoxy-1,2-dimethyl-1H-indole-3-carboxylic acid ethyl ester, Ethyl 5-acetoxy-1,2-dimethyl-1H-indole-3-carboxylate. |
| Q: What is the molecular formula of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate? |
| A: Molecular formula of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate is C15H17NO4. |
| Q: What is the SMILES notation of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate? |
| A: SMILES notation of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate is CCOC(=O)c1c(C)n(C)c2ccc(OC(C)=O)cc12. |
| Q: What is the English name of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate? |
| A: The English name of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate is Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate. |
| Q: What is the melting point of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate? |
| A: Melting point of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate is 124-128ºC. |
| Q: What is the CAS number of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate? |
| A: CAS number of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate is 40945-79-7. |
| Q: What is the boiling point of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate? |
| A: Boiling point of Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate is 414.1±40.0 °C at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |