Ethyl 5-methoxy-1H-indole-2-carboxylate

Modify Date: 2025-08-24 09:19:58

Ethyl 5-methoxy-1H-indole-2-carboxylate Structure
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

 Names

Name Ethyl 5-Methoxyindole-2-Carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL6010000
CHEMICAL NAME :
Indole-2-carboxylic acid, 5-methoxy-, ethyl ester
CAS REGISTRY NUMBER :
4792-58-9
BEILSTEIN REFERENCE NO. :
0178104
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H13-N-O3
MOLECULAR WEIGHT :
219.26
WISWESSER LINE NOTATION :
T56 BMJ CVO2 GO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 9,453,1974

 Safety Information

Hazard Codes C
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS NL6010000
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%

 Ethyl 5-methoxy-1H-indole-2-carboxylateBioassay

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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

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
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