AB00668430-01
TL;DR: AB00668430-01 (CAS 533879-29-7) is a chemical compound with molecular formula C22H15BrCl2N2O2 and molecular weight 487.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-bromo-2-chlorobenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: AB00668430-01, F0560-0769, 4-(5-bromo-2-chlorobenzoyl)-7-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 4-(5-bromo-2-chlorobenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 4-(5-bromo-2-chlorobenzoyl)-7-chloro-5-phenyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
| Molecular Formula | C22H15BrCl2N2O2 |
|---|---|
| Molecular Weight | 487.97 g/mol |
| LogP | 5.9398 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 487.9694 |
| Heavy Atoms | 29 |
| Complexity | 1105.2213 |
Chemical Identifiers
| CAS Number | 533879-29-7 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=C(C=CC(=C3)Br)Cl)C4=CC=CC=C4 |
Product Overview
AB00668430-01 (CAS 533879-29-7), with molecular formula C22H15BrCl2N2O2 and molecular weight 487.97 g/mol. IUPAC: 4-(5-bromo-2-chlorobenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of AB00668430-01
Property Insights of AB00668430-01
The XLogP value of 5.9398 indicates that AB00668430-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AB00668430-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668430-01 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 AB00668430-01?
The CAS number of AB00668430-01 is 533879-29-7.
What is the molecular formula of AB00668430-01?
The molecular formula of AB00668430-01 is C22H15BrCl2N2O2.
What is the molecular weight of AB00668430-01?
The molecular weight of AB00668430-01 is 487.97 g/mol.
Where can I buy AB00668430-01?
You can request a quote for AB00668430-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668430-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668430-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.