benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
TL;DR: benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate (CAS 5685-27-8) is a chemical compound with molecular formula C23H19BrN2O3 and molecular weight 450.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
Also Known As: BAS 00462465, BIM-0013715.P001, AB00666723-01, benzyl 7-bromo-2-oxo-5-phenyl-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate, benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
| Molecular Formula | C23H19BrN2O3 |
|---|---|
| Molecular Weight | 450.06 g/mol |
| LogP | 5.1294 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.05792 |
| Heavy Atoms | 29 |
| Complexity | 1024.8076 |
Chemical Identifiers
| CAS Number | 5685-27-8 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate (CAS 5685-27-8), with molecular formula C23H19BrN2O3 and molecular weight 450.06 g/mol. IUPAC: benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate.
Chemical Property Profile of benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
Property Insights of benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
The XLogP value of 5.1294 indicates that benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate?
The CAS number of benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate is 5685-27-8.
What is the molecular formula of benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate?
The molecular formula of benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate is C23H19BrN2O3.
What is the molecular weight of benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate?
The molecular weight of benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate is 450.06 g/mol.
Where can I buy benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate?
You can request a quote for benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.