ChemDiv1_005528
TL;DR: ChemDiv1_005528 (CAS 362001-27-2) is a chemical compound with molecular formula C29H27N3O4 and molecular weight 481.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylphenyl)-9-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_005528, 1-[1-hydroxy-11-(4-methylphenyl)-3-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one, 11-(4-methylphenyl)-3-(3-nitrophenyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(3-nitrophenyl)-10-propionyl-11-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-methylphenyl)-9-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C29H27N3O4 |
|---|---|
| Molecular Weight | 481.20 g/mol |
| LogP | 6.21382 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.20016 |
| Heavy Atoms | 36 |
| Complexity | 1393.6381 |
Chemical Identifiers
| CAS Number | 362001-27-2 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC=C41)C5=CC=C(C=C5)C |
Product Overview
ChemDiv1_005528 (CAS 362001-27-2), with molecular formula C29H27N3O4 and molecular weight 481.20 g/mol. IUPAC: 6-(4-methylphenyl)-9-(3-nitrophenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_005528
Property Insights of ChemDiv1_005528
The XLogP value of 6.21382 indicates that ChemDiv1_005528 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_005528. Following Lipinski's Rule of Five, ChemDiv1_005528 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_005528?
The CAS number of ChemDiv1_005528 is 362001-27-2.
What is the molecular formula of ChemDiv1_005528?
The molecular formula of ChemDiv1_005528 is C29H27N3O4.
What is the molecular weight of ChemDiv1_005528?
The molecular weight of ChemDiv1_005528 is 481.20 g/mol.
Where can I buy ChemDiv1_005528?
You can request a quote for ChemDiv1_005528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005528?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.