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· · COA & SDS available for every product · Same-day shipping on in-stock items CEP-37440 - ≥99% , CAS No.1391712-60-9 🧪
Why this grade ≥99% 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 Specifications & Purity
≥99%
Names and Identifiers Canonical Smiles CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C4=C(CC(CCC4)N5CCN(CC5)CCO)C=C3)OC IUPAC Name 2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide InChIKey BCSHRERPHLTPEE-NRFANRHFSA-N INCHI 1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 Isomeric SMILES CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C4=C(C[C@H](CCC4)N5CCN(CC5)CCO)C=C3)OC PubChem CID 71721648 Molecular Weight 580.13
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 Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzamides Alternative Parents Methoxyanilines Anisoles Benzoyl derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines N-alkylpiperazines Halopyrimidines Aryl chlorides Imidolactams Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives 1,2-aminoalcohols Azacyclic compounds Organic oxides Organochlorides Primary alcohols Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Methoxyaniline - Benzamide - Phenol ether - Benzoyl - Anisole - Aniline or substituted anilines - Alkyl aryl ether - Halopyrimidine - N-alkylpiperazine - Aminopyrimidine - Aralkylamine - Imidolactam - 1,4-diazinane - Piperazine - Pyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Tertiary aliphatic amine - Alkanolamine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Primary alcohol - Organohalogen compound - Organic nitrogen compound - Alcohol - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 580.100 g/mol XLogP3 4.600 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 9 Exact Mass 579.272 Da Monoisotopic Mass 579.272 Da Topological Polar Surface Area 115.000 Ų Heavy Atom Count 41 Formal Charge 0 Complexity 819.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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