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Ethyl Indole-2-carboxylate - ≥97% , CAS No.3770-50-1

CAS: 3770-50-1 Cat. No.: I129126 Molecular Weight: 189.21 Beilstein Registry Number: 22(3/4)1060 EC Number: 223-206-4
COA
Ethyl Indole-2-carboxylate - ≥97% CAS No(3770-50-1) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
NSC 10076 | STK047851 | UNII-WR9Y4AXI3Q | ETHYL 2-INDOLECARBOXYLATE | 1H-Indole-2-carboxylic acid, ethyl ester | SR-01000388934-1 | 2-Acetoxytoluene | Estone 80 | ethyl-2-indole carboxylate | I-2400 | SR-01000388934-2 | SCHEMBL42002 | DTXSID60191140 | eth
Storage
Store at 2-8°C
Shipped In
Wet ice
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 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
I129126-5g
3

$9.90

$14.90
Save $5.00 (33.56%)
10g
I129126-10g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$12.90

$19.90
Save $7.00 (35.18%)
25g
I129126-25g
2

$21.90

$32.90
Save $11.00 (33.43%)
100g
I129126-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$43.90

$65.90
Save $22.00 (33.38%)
250g
I129126-250g
1

$96.90

$145.90
Save $49.00 (33.58%)
500g
I129126-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$138.90

$208.90
Save $70.00 (33.51%)
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Reactant for preparation of:CRTH2 receptor antagonists;Indoleamine 2,3-dioxygenase (IDO) inhibitors;Cannabinoid CB1 receptor antagonists; Inhibitors of Human Reticulocyte 15-Lipoxygenase-1;N-(benzoylphenyl)-1H-indole-2-carboxamides as potent antihypertriglyceridemic agents;A antiproliferative agent against human leukemia K562 cells;Inhibitors of p38 MAP kinase; Acetolactate synthase inhibitors.

Specifications

Synonyms
NSC 10076 | STK047851 | UNII-WR9Y4AXI3Q | ETHYL 2-INDOLECARBOXYLATE | 1H-Indole-2-carboxylic acid, ethyl ester | SR-01000388934-1 | 2-Acetoxytoluene | Estone 80 | ethyl-2-indole carboxylate | I-2400 | SR-01000388934-2 | SCHEMBL42002 | DTXSID60191140 | eth
Specifications & Purity
≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Pubchem Sid504754689
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754689
Canonical SmilesCCOC(=O)C1=CC2=CC=CC=C2N1
IUPAC Nameethyl 1H-indole-2-carboxylate
InChIKeyQQXQAEWRSVZPJM-UHFFFAOYSA-N
INCHI1S/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3
Isomeric SMILES CCOC(=O)C1=CC2=CC=CC=C2N1
WGK Germany 3
Molecular Weight 189.21
Beilstein 22(3/4)1060
Reaxy-Rn 146395
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=146395&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolecarboxylic acids and derivatives
Alternative Parents Indoles  Pyrrole carboxylic acids and derivatives  Substituted pyrroles  Benzenoids  Heteroaromatic compounds  Carboxylic acid esters  Monocarboxylic acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MT4 (17854 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus niger (16508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fusarium oxysporum (3998 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human immunodeficiency virus 1 (70413 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeDateItem
E2628090Certificate of AnalysisMay 29, 2026 I129126
D2602031Certificate of AnalysisApr 07, 2026 I129126
K2125455Certificate of AnalysisSep 08, 2025 I129126
K2125456Certificate of AnalysisSep 08, 2025 I129126
K2125457Certificate of AnalysisSep 08, 2025 I129126
K2125459Certificate of AnalysisSep 08, 2025 I129126
H1612040Certificate of AnalysisApr 07, 2024 I129126
Chemical and Physical Properties
Melt Point(°C)122-125°C
Molecular Weight189.210 g/mol
XLogP33.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass189.079 Da
Monoisotopic Mass189.079 Da
Topological Polar Surface Area42.100 Ų
Heavy Atom Count14
Formal Charge0
Complexity217.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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