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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate - ≥98% , CAS No.1601-18-9
Synonyms
AKOS022181585 | Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate | MFCD01719291 | Methyl ester of Indomethacin | Indomethacin derivative, 5 | OKHORWCUMZIORR-UHFFFAOYSA-N | Indometacin methylester | PD162607 | Indomethacin, methyl der
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
AKOS022181585 | Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate | MFCD01719291 | Methyl ester of Indomethacin | Indomethacin derivative, 5 | OKHORWCUMZIORR-UHFFFAOYSA-N | Indometacin methylester | PD162607 | Indomethacin, methyl der
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC IUPAC Name methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate InChIKey OKHORWCUMZIORR-UHFFFAOYSA-N INCHI 1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3 Isomeric SMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC Molecular Weight 371.81 Reaxy-Rn 496619 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=496619&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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Indoles and derivatives Subclass Benzoylindoles Intermediate Tree Nodes Not available Direct Parent Benzoylindoles Alternative Parents Indole-3-acetic acid derivatives Indolecarboxylic acids and derivatives 3-alkylindoles 4-halobenzoic acids and derivatives Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Substituted pyrroles Aryl chlorides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoylindole - Indole-3-acetic acid derivative - Indolecarboxylic acid derivative - Indolyl carboxylic acid derivative - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Indole - Benzoic acid or derivatives - Benzoyl - Anisole - Chlorobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Aryl halide - Aryl chloride - Benzenoid - Methyl ester - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moiety through the acyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 371.800 g/mol XLogP3 4.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 371.092 Da Monoisotopic Mass 371.092 Da Topological Polar Surface Area 57.500 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 520.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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