AB00674696-01
TL;DR: AB00674696-01 (CAS 865616-70-2) is a chemical compound with molecular formula C22H19BrN2O4S and molecular weight 486.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-4-(4-methoxyphenyl)sulfonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: AB00674696-01, F1590-0204, 7-bromo-4-(4-methoxybenzenesulfonyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 7-bromo-4-(4-methoxyphenyl)sulfonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 7-bromo-4-(4-methoxybenzenesulfonyl)-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-2-ol
| Molecular Formula | C22H19BrN2O4S |
|---|---|
| Molecular Weight | 486.02 g/mol |
| LogP | 4.1901 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.0249 |
| Heavy Atoms | 30 |
| Complexity | 1181.5193 |
Chemical Identifiers
| CAS Number | 865616-70-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br |
Product Overview
AB00674696-01 (CAS 865616-70-2), with molecular formula C22H19BrN2O4S and molecular weight 486.02 g/mol. IUPAC: 7-bromo-4-(4-methoxyphenyl)sulfonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of AB00674696-01
Property Insights of AB00674696-01
The XLogP value of 4.1901 indicates that AB00674696-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00674696-01. Following Lipinski's Rule of Five, AB00674696-01 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 AB00674696-01?
The CAS number of AB00674696-01 is 865616-70-2.
What is the molecular formula of AB00674696-01?
The molecular formula of AB00674696-01 is C22H19BrN2O4S.
What is the molecular weight of AB00674696-01?
The molecular weight of AB00674696-01 is 486.02 g/mol.
Where can I buy AB00674696-01?
You can request a quote for AB00674696-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00674696-01?
Yes, KEHONG BIO provides custom synthesis services for AB00674696-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.