A3161/0133759
TL;DR: A3161/0133759 (CAS 524002-06-0) is a chemical compound with molecular formula C26H23N3O3 and molecular weight 425.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methylphenyl)-6-(2-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: A3161/0133759, 3-(4-methylphenyl)-11-(2-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(4-methylphenyl)-6-(2-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C26H23N3O3 |
|---|---|
| Molecular Weight | 425.17 g/mol |
| LogP | 5.88272 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.17395 |
| Heavy Atoms | 32 |
| Complexity | 1247.1818 |
Chemical Identifiers
| CAS Number | 524002-06-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=CC=C5[N+](=O)[O-])C(=O)C2 |
Product Overview
A3161/0133759 (CAS 524002-06-0), with molecular formula C26H23N3O3 and molecular weight 425.17 g/mol. IUPAC: 9-(4-methylphenyl)-6-(2-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of A3161/0133759
Property Insights of A3161/0133759
The XLogP value of 5.88272 indicates that A3161/0133759 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for A3161/0133759. Following Lipinski's Rule of Five, A3161/0133759 has 2 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 A3161/0133759?
The CAS number of A3161/0133759 is 524002-06-0.
What is the molecular formula of A3161/0133759?
The molecular formula of A3161/0133759 is C26H23N3O3.
What is the molecular weight of A3161/0133759?
The molecular weight of A3161/0133759 is 425.17 g/mol.
Where can I buy A3161/0133759?
You can request a quote for A3161/0133759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3161/0133759?
Yes, KEHONG BIO provides custom synthesis services for A3161/0133759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.