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3-[(S)-7-bromo-2-oxo-5-pyridin-2-yl-2，3-dihydro-1H-1，4-benzodiazepin-3-yl]-propionic acid methyl ester - ≥98%, high purity , CAS No.308242-23-1

COA

Grade & Purity:

≥98%

Cas Number: 308242-23-1
Molecular Weight: 402.24
PubChem CID: 58780386

In stock

Item Number

B770209

Grouped product items
SKU	Size	Availability	Price
B770209-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
B770209-1g	1g	3	$22.90
B770209-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90
B770209-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$205.90

View related series

Pyridine compounds (423) Remazolam intermediate (1)

Basic Description

Synonyms	(S)-Methyl 3-(7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)propanoate \| 1H-1,4-Benzodiazepine-3-propanoic acid, 7-bromo-2,3-dihydro-2-oxo-5-(2-pyridinyl)-, methyl ester \| (3S)-Methyl 3-[(3S)-7-bromo-2-oxo-5-(2-pyridinyl)-2,3-di
Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzodiazepines
    - Subclass 1,4-benzodiazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzodiazepines
Subclass	1,4-benzodiazepines
Intermediate Tree Nodes	Not available
Direct Parent	1,4-benzodiazepines
Alternative Parents	Alpha amino acids and derivatives Fatty acid esters Pyridines and derivatives Aryl bromides Benzenoids Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,4-benzodiazepine - Alpha-amino acid or derivatives - Fatty acid ester - Aryl bromide - Aryl halide - Fatty acyl - Benzenoid - Pyridine - Heteroaromatic compound - Methyl ester - Carboxamide group - Carboxylic acid ester - Ketimine - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxide - Imine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	methyl 3-[(3S)-7-bromo-2-oxo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate
INCHI	InChI=1S/C18H16BrN3O3/c1-25-16(23)8-7-15-18(24)22-13-6-5-11(19)10-12(13)17(21-15)14-4-2-3-9-20-14/h2-6,9-10,15H,7-8H2,1H3,(H,22,24)/t15-/m0/s1
InChIKey	PITXBYGUVDYTBQ-HNNXBMFYSA-N
Smiles	COC(=O)CCC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
Isomeric SMILES	COC(=O)CC[C@H]1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
Molecular Weight	402.24

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2503257	Certificate of Analysis	Mar 28, 2025	B770209
D2503258	Certificate of Analysis	Mar 28, 2025	B770209
D2503259	Certificate of Analysis	Mar 28, 2025	B770209
D2503260	Certificate of Analysis	Mar 28, 2025	B770209
D2503261	Certificate of Analysis	Mar 28, 2025	B770209
D2503262	Certificate of Analysis	Mar 28, 2025	B770209
D2503263	Certificate of Analysis	Mar 28, 2025	B770209
D2503264	Certificate of Analysis	Mar 28, 2025	B770209

Chemical and Physical Properties

Molecular Weight	402.200 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	401.038 Da
Monoisotopic Mass	401.038 Da
Topological Polar Surface Area	80.700 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	540.000
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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