AB00668414-01
TL;DR: AB00668414-01 (CAS 533874-22-5) is a chemical compound with molecular formula C23H18BrClN2O2 and molecular weight 468.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-bromo-2-chlorobenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: AB00668414-01, F0560-0193, 4-(5-bromo-2-chlorobenzoyl)-7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 4-(5-bromo-2-chlorobenzoyl)-7-methyl-5-phenyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 4-(5-bromo-2-chlorobenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
| Molecular Formula | C23H18BrClN2O2 |
|---|---|
| Molecular Weight | 468.02 g/mol |
| LogP | 5.59482 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.02402 |
| Heavy Atoms | 29 |
| Complexity | 1101.2869 |
Chemical Identifiers
| CAS Number | 533874-22-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=C(C=CC(=C4)Br)Cl |
Product Overview
AB00668414-01 (CAS 533874-22-5), with molecular formula C23H18BrClN2O2 and molecular weight 468.02 g/mol. IUPAC: 4-(5-bromo-2-chlorobenzoyl)-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of AB00668414-01
Property Insights of AB00668414-01
The XLogP value of 5.59482 indicates that AB00668414-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AB00668414-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668414-01 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668414-01?
The CAS number of AB00668414-01 is 533874-22-5.
What is the molecular formula of AB00668414-01?
The molecular formula of AB00668414-01 is C23H18BrClN2O2.
What is the molecular weight of AB00668414-01?
The molecular weight of AB00668414-01 is 468.02 g/mol.
Where can I buy AB00668414-01?
You can request a quote for AB00668414-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668414-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668414-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.