A3158/0133597
TL;DR: A3158/0133597 (CAS 524000-65-5) is a chemical compound with molecular formula C26H23N3O4 and molecular weight 441.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-methoxyphenyl)-6-(3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: A3158/0133597, 3-(3-methoxyphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(3-methoxyphenyl)-6-(3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C26H23N3O4 |
|---|---|
| Molecular Weight | 441.17 g/mol |
| LogP | 5.5829 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.16885 |
| Heavy Atoms | 33 |
| Complexity | 1283.7885 |
Chemical Identifiers
| CAS Number | 524000-65-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C2 |
Product Overview
A3158/0133597 (CAS 524000-65-5), with molecular formula C26H23N3O4 and molecular weight 441.17 g/mol. IUPAC: 9-(3-methoxyphenyl)-6-(3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of A3158/0133597
Property Insights of A3158/0133597
The XLogP value of 5.5829 indicates that A3158/0133597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for A3158/0133597. Following Lipinski's Rule of Five, A3158/0133597 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3158/0133597?
The CAS number of A3158/0133597 is 524000-65-5.
What is the molecular formula of A3158/0133597?
The molecular formula of A3158/0133597 is C26H23N3O4.
What is the molecular weight of A3158/0133597?
The molecular weight of A3158/0133597 is 441.17 g/mol.
Where can I buy A3158/0133597?
You can request a quote for A3158/0133597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3158/0133597?
Yes, KEHONG BIO provides custom synthesis services for A3158/0133597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.