ChemDiv1_008595
TL;DR: ChemDiv1_008595 (CAS 333758-22-8) is a chemical compound with molecular formula C28H25ClN2O3 and molecular weight 472.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-9-(4-chlorophenyl)-6-(3-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_008595, BAS 03058176, AJ-292/40706606, 10-acetyl-3-(4-chlorophenyl)-11-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-acetyl-9-(4-chlorophenyl)-6-(3-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C28H25ClN2O3 |
|---|---|
| Molecular Weight | 472.16 g/mol |
| LogP | 6.2691 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.15536 |
| Heavy Atoms | 34 |
| Complexity | 1299.0132 |
Chemical Identifiers
| CAS Number | 333758-22-8 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)Cl)NC4=CC=CC=C41)C5=CC(=CC=C5)OC |
Product Overview
ChemDiv1_008595 (CAS 333758-22-8), with molecular formula C28H25ClN2O3 and molecular weight 472.16 g/mol. IUPAC: 5-acetyl-9-(4-chlorophenyl)-6-(3-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_008595
Property Insights of ChemDiv1_008595
The XLogP value of 6.2691 indicates that ChemDiv1_008595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ChemDiv1_008595 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008595 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008595?
The CAS number of ChemDiv1_008595 is 333758-22-8.
What is the molecular formula of ChemDiv1_008595?
The molecular formula of ChemDiv1_008595 is C28H25ClN2O3.
What is the molecular weight of ChemDiv1_008595?
The molecular weight of ChemDiv1_008595 is 472.16 g/mol.
Where can I buy ChemDiv1_008595?
You can request a quote for ChemDiv1_008595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008595?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.