Cambridge id 6055627
TL;DR: Cambridge id 6055627 (CAS 424804-13-7) is a chemical compound with molecular formula C27H23N3O4 and molecular weight 453.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-(3-nitrophenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BIM-0043128.P001, 5-acetyl-6-(3-nitrophenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 10-acetyl-11-(3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-acetyl-11-{3-nitrophenyl}-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C27H23N3O4 |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | 5.5153 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.16885 |
| Heavy Atoms | 34 |
| Complexity | 1332.4666 |
Chemical Identifiers
| CAS Number | 424804-13-7 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
Cambridge id 6055627 (CAS 424804-13-7), with molecular formula C27H23N3O4 and molecular weight 453.17 g/mol. IUPAC: 5-acetyl-6-(3-nitrophenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of Cambridge id 6055627
Property Insights of Cambridge id 6055627
The XLogP value of 5.5153 indicates that Cambridge id 6055627 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 Cambridge id 6055627. Following Lipinski's Rule of Five, Cambridge id 6055627 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 Cambridge id 6055627?
The CAS number of Cambridge id 6055627 is 424804-13-7.
What is the molecular formula of Cambridge id 6055627?
The molecular formula of Cambridge id 6055627 is C27H23N3O4.
What is the molecular weight of Cambridge id 6055627?
The molecular weight of Cambridge id 6055627 is 453.17 g/mol.
Where can I buy Cambridge id 6055627?
You can request a quote for Cambridge id 6055627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 6055627?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 6055627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.