Ethyl 5-(acetyloxy)-1,2-dimethyl-1H-indole-3-carboxylate

Modify Date: 2025-08-22 18:10:43

Ethyl 5-(acetyloxy)-1,2-dimethyl-1H-indole-3-carboxylate Structure
Ethyl 5-(acetyloxy)-1,2-dimethyl-1H-indole-3-carboxylate structure
Common Name Ethyl 5-(acetyloxy)-1,2-dimethyl-1H-indole-3-carboxylate
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

 Names

Name Ethyl 5-acetyloxy-1,2-dimethylindole-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

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℃

 Safety Information

Hazard Codes Xi
HS Code 2933990090

 Customs

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%

 Bioassay

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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
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
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 Synonyms

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
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