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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(4-chlorobenzyl)-3-hydroxy-3-[2-oxo-2-(2-thienyl)ethyl]-1,3-dihydro-2H-indol-2-one , CAS No.355428-98-7
Synonyms
1-(4-chlorobenzyl)-3-hydroxy-3-[2-oxo-2-(2-thienyl)ethyl]-1,3-dihydro-2H-indol-2-one | 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one | 1-(4-chlorobenzyl)-3-hydroxy-3-[2-oxo-2-(thiophen-2-yl)ethyl]-1,3-dihydro-2H-indol-2-on
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
1-(4-chlorobenzyl)-3-hydroxy-3-[2-oxo-2-(2-thienyl)ethyl]-1, 3-dihydro-2H-indol-2-one | 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one | 1-(4-chlorobenzyl)-3-hydroxy-3-[2-oxo-2-(thiophen-2-yl)ethyl]-1, 3-dihydro-2H-indol-2-on
Product Properties Names and Identifiers Canonical Smiles C1=CC=C2C(=C1)C(C(=O)N2CC3=CC=C(C=C3)Cl)(CC(=O)C4=CC=CS4)O IUPAC Name 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one InChIKey PLLRUGKWZRYBCH-UHFFFAOYSA-N INCHI 1S/C21H16ClNO3S/c22-15-9-7-14(8-10-15)13-23-17-5-2-1-4-16(17)21(26,20(23)25)12-18(24)19-6-3-11-27-19/h1-11,26H,12-13H2 Isomeric SMILES C1=CC=C2C(=C1)C(C(=O)N2CC3=CC=C(C=C3)Cl)(CC(=O)C4=CC=CS4)O Molecular Weight 397.9 Reaxy-Rn 12733063 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12733063&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 Not available Intermediate Tree Nodes Not available Direct Parent Indoles and derivatives Alternative Parents Aryl alkyl ketones Chlorobenzenes Beta-hydroxy ketones Aryl chlorides Thiophenes Tertiary carboxylic acid amides Tertiary alcohols Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Indole or derivatives - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. 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 397.900 g/mol XLogP3 4.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 397.054 Da Monoisotopic Mass 397.054 Da Topological Polar Surface Area 85.900 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 580.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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