ChemDiv1_019339
TL;DR: ChemDiv1_019339 (CAS 53105-54-7) is a chemical compound with molecular formula C17H13BrN2O3 and molecular weight 372.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate
Also Known As: ChemDiv1_019339, 7-bromo-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl acetate, 7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl acetate, 7-bromo-2-oxo-5-phenyl-1H,3H-benzo[f]1,4-diazepin-3-yl acetate, Acetic acid 7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester
| Molecular Formula | C17H13BrN2O3 |
|---|---|
| Molecular Weight | 372.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.01096 |
| Heavy Atoms | 23 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 53105-54-7 |
|---|---|
| SMILES | CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3 |
| InChIKey | FZOVXUXVQRFROW-UHFFFAOYSA-N |
Product Overview
ChemDiv1_019339 (CAS 53105-54-7), with molecular formula C17H13BrN2O3 and molecular weight 372.01 g/mol. IUPAC: (7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate.
Chemical Property Profile of ChemDiv1_019339
Property Insights of ChemDiv1_019339
The XLogP value of 3.0 indicates that ChemDiv1_019339 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_019339. Following Lipinski's Rule of Five, ChemDiv1_019339 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_019339?
The CAS number of ChemDiv1_019339 is 53105-54-7.
What is the molecular formula of ChemDiv1_019339?
The molecular formula of ChemDiv1_019339 is C17H13BrN2O3.
What is the molecular weight of ChemDiv1_019339?
The molecular weight of ChemDiv1_019339 is 372.01 g/mol.
Where can I buy ChemDiv1_019339?
You can request a quote for ChemDiv1_019339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019339?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.