AB00668432-01
TL;DR: AB00668432-01 (CAS 533879-53-7) is a chemical compound with molecular formula C24H20ClFN2O4 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-4-(2,3-dimethoxybenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: AB00668432-01, F0560-0794, 7-chloro-4-(2,3-dimethoxybenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 7-chloro-4-(2,3-dimethoxybenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 7-chloro-4-(2,3-dimethoxybenzoyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
| Molecular Formula | C24H20ClFN2O4 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 4.6802 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.10956 |
| Heavy Atoms | 32 |
| Complexity | 1183.1168 |
Chemical Identifiers
| CAS Number | 533879-53-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)Cl |
Product Overview
AB00668432-01 (CAS 533879-53-7), with molecular formula C24H20ClFN2O4 and molecular weight 454.11 g/mol. IUPAC: 7-chloro-4-(2,3-dimethoxybenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of AB00668432-01
Property Insights of AB00668432-01
The XLogP value of 4.6802 indicates that AB00668432-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668432-01. Following Lipinski's Rule of Five, AB00668432-01 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 AB00668432-01?
The CAS number of AB00668432-01 is 533879-53-7.
What is the molecular formula of AB00668432-01?
The molecular formula of AB00668432-01 is C24H20ClFN2O4.
What is the molecular weight of AB00668432-01?
The molecular weight of AB00668432-01 is 454.11 g/mol.
Where can I buy AB00668432-01?
You can request a quote for AB00668432-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668432-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668432-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.