AB00666836-01
TL;DR: AB00666836-01 (CAS 313683-97-5) is a chemical compound with molecular formula C29H21ClN2O3 and molecular weight 480.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzoylbenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: AB00666836-01, F0018-0615, F1596-0048, 4-(4-benzoylbenzoyl)-7-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 4-(4-benzoylbenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
| Molecular Formula | C29H21ClN2O3 |
|---|---|
| Molecular Weight | 480.12 g/mol |
| LogP | 5.7549 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.12408 |
| Heavy Atoms | 35 |
| Complexity | 1403.3129 |
Chemical Identifiers
| CAS Number | 313683-97-5 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
AB00666836-01 (CAS 313683-97-5), with molecular formula C29H21ClN2O3 and molecular weight 480.12 g/mol. IUPAC: 4-(4-benzoylbenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of AB00666836-01
Property Insights of AB00666836-01
The XLogP value of 5.7549 indicates that AB00666836-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00666836-01. Following Lipinski's Rule of Five, AB00666836-01 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00666836-01?
The CAS number of AB00666836-01 is 313683-97-5.
What is the molecular formula of AB00666836-01?
The molecular formula of AB00666836-01 is C29H21ClN2O3.
What is the molecular weight of AB00666836-01?
The molecular weight of AB00666836-01 is 480.12 g/mol.
Where can I buy AB00666836-01?
You can request a quote for AB00666836-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00666836-01?
Yes, KEHONG BIO provides custom synthesis services for AB00666836-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.