Ethyl 5-methoxy-1H-indole-2-carboxylate
Ethyl 5-methoxy-1H-indole-2-carboxylate structure
|
Common Name | Ethyl 5-methoxy-1H-indole-2-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 4792-58-9 | Molecular Weight | 219.236 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 380.2±22.0 °C at 760 mmHg | |
| Molecular Formula | C12H13NO3 | Melting Point | 154-157°C | |
| MSDS | Chinese USA | Flash Point | 183.7±22.3 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ethyl 5-Methoxyindole-2-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 | 380.2±22.0 °C at 760 mmHg |
| Melting Point | 154-157°C |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.236 |
| Flash Point | 183.7±22.3 °C |
| Exact Mass | 219.089539 |
| PSA | 51.32000 |
| LogP | 2.92 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.599 |
| InChIKey | NPIUAXNFAUGNHP-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cc2cc(OC)ccc2[nH]1 |
| Storage condition | −20°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | C |
|---|---|
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | NL6010000 |
| HS Code | 2933990090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
|---|---|
| DownStream 9 | |
CAS#:107891-14-5![8-methoxy-N-(propan-2-ylideneamino)-5H-pyridazino[4,5-b]indol-4-amine structure](https://image.chemsrc.com/caspic/077/107891-09-8.png)
CAS#:107891-09-8
CAS#:4382-54-1
CAS#:59908-54-2
CAS#:36820-78-7
CAS#:21778-77-8
CAS#:21778-81-4
CAS#:34572-05-9
CAS#:30933-69-8This 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.
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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.
|
|
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
|
|
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
|
|
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
|
|
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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1H-Indole-2-carboxylic acid, 5-methoxy-, ethyl ester (9CI) |
| 5-22-05-00181 (Beilstein Handbook Reference) |
| 5-Methoxyindole-2-carboxylic acid ethyl ester |
| ethyl 5-methoxyl-1H-indole-2-carboxylate |
| MFCD00047163 |
| Ethyl 5-methoxy-1H-indole-2-carboxylate |
| 1H-Indole-2-carboxylic acid, 5-methoxy-, ethyl ester |
| ETHYL 5-METHOXYINDOLE-2-CARBOXYLATE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of Ethyl 5-Methoxyindole-2-Carboxylate? |
| A: Boiling point of Ethyl 5-Methoxyindole-2-Carboxylate is 380.2±22.0 °C at 760 mmHg. |
| Q: What are the storage conditions for Ethyl 5-Methoxyindole-2-Carboxylate? |
| A: Storage conditions for Ethyl 5-Methoxyindole-2-Carboxylate: −20°C. |
| Q: What is the LogP of Ethyl 5-Methoxyindole-2-Carboxylate? |
| A: LogP of Ethyl 5-Methoxyindole-2-Carboxylate is 2.92. |
| Q: What is the molecular formula of Ethyl 5-Methoxyindole-2-Carboxylate? |
| A: Molecular formula of Ethyl 5-Methoxyindole-2-Carboxylate is C12H13NO3. |
| Q: What is the melting point of Ethyl 5-Methoxyindole-2-Carboxylate? |
| A: Melting point of Ethyl 5-Methoxyindole-2-Carboxylate is 154-157°C. |
| Q: What is the InChIKey of Ethyl 5-Methoxyindole-2-Carboxylate? |
| A: InChIKey of Ethyl 5-Methoxyindole-2-Carboxylate is NPIUAXNFAUGNHP-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of Ethyl 5-Methoxyindole-2-Carboxylate? |
| A: Polar surface area (PSA) of Ethyl 5-Methoxyindole-2-Carboxylate is 51.32000. |
| Q: What is the CAS number of Ethyl 5-Methoxyindole-2-Carboxylate? |
| A: CAS number of Ethyl 5-Methoxyindole-2-Carboxylate is 4792-58-9. |
| Q: What is the English name of Ethyl 5-Methoxyindole-2-Carboxylate? |
| A: The English name of Ethyl 5-Methoxyindole-2-Carboxylate is Ethyl 5-Methoxyindole-2-Carboxylate. |
| Q: What is the SMILES notation of Ethyl 5-Methoxyindole-2-Carboxylate? |
| A: SMILES notation of Ethyl 5-Methoxyindole-2-Carboxylate is CCOC(=O)c1cc2cc(OC)ccc2[nH]1. |
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. |