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· · COA & SDS available for every product · Same-day shipping on in-stock items Pentanamide, N-(3-(1-(2-(8-chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2,2-dimethyl- , CAS No.145301-48-0
Synonyms
Bibn 99 | Bibn-99 | Pentanamide, N-(3-(1-(2-(8-chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2,2-dimethyl- | DTXSID00162975 | BDBM50525141 | AKOS040747968 | N-(3-(1-(2-(8-Chloro-5,6-dihydro-6
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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
Bibn 99 | Bibn-99 | Pentanamide, N-(3-(1-(2-(8-chloro-5, 6-dihydro-6-oxo-11H-pyrido(2, 3-b)(1, 4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2, 2-dimethyl- | DTXSID00162975 | BDBM50525141 | AKOS040747968 | N-(3-(1-(2-(8-Chloro-5, 6-dihydro-6
Product Properties Names and Identifiers Canonical Smiles CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)Cl)C(=O)NC4=C2N=CC=C4 IUPAC Name N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]piperidin-4-yl]propyl]-N-ethyl-2,2-dimethylpentanamide InChIKey LUPAFPUKESJDMZ-UHFFFAOYSA-N INCHI 1S/C31H42ClN5O3/c1-5-15-31(3,4)30(40)36(6-2)17-8-9-22-13-18-35(19-14-22)21-27(38)37-26-12-11-23(32)20-24(26)29(39)34-25-10-7-16-33-28(25)37/h7,10-12,16,20,22H,5-6,8-9,13-15,17-19,21H2,1-4H3,(H,34,39) Isomeric SMILES CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)Cl)C(=O)NC4=C2N=CC=C4 PubChem CID 132712 Molecular Weight 568.1
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 Benzodiazepines Subclass 1,4-benzodiazepines Intermediate Tree Nodes Not available Direct Parent 1,4-benzodiazepines Alternative Parents Pyridodiazepines Alpha amino acids and derivatives Pyridines and derivatives Piperidines Aryl chlorides N-acyl amines Benzenoids Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyrido-para-diazepine - 1,4-benzodiazepine - Alpha-amino acid or derivatives - Aryl chloride - Aryl halide - N-acyl-amine - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine. 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 568.100 g/mol XLogP3 4.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 10 Exact Mass 567.298 Da Monoisotopic Mass 567.298 Da Topological Polar Surface Area 85.900 Ų Heavy Atom Count 40 Formal Charge 0 Complexity 877.000 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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