ChemDiv1_023731
TL;DR: ChemDiv1_023731 (CAS 172986-30-0) is a chemical compound with molecular formula C21H13BrClN3O3 and molecular weight 468.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] pyridine-3-carboxylate
Also Known As: ChemDiv1_023731, AF-399/40653329, 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl pyridine-3-carboxylate, 7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl nicotinate, 7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl nicotinate
| Molecular Formula | C21H13BrClN3O3 |
|---|---|
| Molecular Weight | 468.98 g/mol |
| LogP | 4.4701 |
| Topological Polar Surface Area | 80.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.98288 |
| Heavy Atoms | 29 |
| Complexity | 1135.025 |
Chemical Identifiers
| CAS Number | 172986-30-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)C4=CN=CC=C4)Cl |
Product Overview
ChemDiv1_023731 (CAS 172986-30-0), with molecular formula C21H13BrClN3O3 and molecular weight 468.98 g/mol. IUPAC: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_023731
Property Insights of ChemDiv1_023731
The XLogP value of 4.4701 indicates that ChemDiv1_023731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023731. Following Lipinski's Rule of Five, ChemDiv1_023731 has 1 hydrogen bond donor(s) and 5 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_023731?
The CAS number of ChemDiv1_023731 is 172986-30-0.
What is the molecular formula of ChemDiv1_023731?
The molecular formula of ChemDiv1_023731 is C21H13BrClN3O3.
What is the molecular weight of ChemDiv1_023731?
The molecular weight of ChemDiv1_023731 is 468.98 g/mol.
Where can I buy ChemDiv1_023731?
You can request a quote for ChemDiv1_023731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023731?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.