ChemDiv1_005440
TL;DR: ChemDiv1_005440 (CAS 362001-17-0) is a chemical compound with molecular formula C27H22ClN3O4 and molecular weight 487.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-(4-chlorophenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_005440, 10-acetyl-11-(4-chlorophenyl)-3-{3-nitrophenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-acetyl-11-(4-chlorophenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-acetyl-6-(4-chlorophenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C27H22ClN3O4 |
|---|---|
| Molecular Weight | 487.13 g/mol |
| LogP | 6.1687 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 487.12988 |
| Heavy Atoms | 35 |
| Complexity | 1383.1836 |
Chemical Identifiers
| CAS Number | 362001-17-0 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C41)C5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_005440 (CAS 362001-17-0), with molecular formula C27H22ClN3O4 and molecular weight 487.13 g/mol. IUPAC: 5-acetyl-6-(4-chlorophenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_005440
Property Insights of ChemDiv1_005440
The XLogP value of 6.1687 indicates that ChemDiv1_005440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005440. Following Lipinski's Rule of Five, ChemDiv1_005440 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005440?
The CAS number of ChemDiv1_005440 is 362001-17-0.
What is the molecular formula of ChemDiv1_005440?
The molecular formula of ChemDiv1_005440 is C27H22ClN3O4.
What is the molecular weight of ChemDiv1_005440?
The molecular weight of ChemDiv1_005440 is 487.13 g/mol.
Where can I buy ChemDiv1_005440?
You can request a quote for ChemDiv1_005440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005440?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.