A2557/0108905
TL;DR: A2557/0108905 (CAS 347326-30-1) is a chemical compound with molecular formula C25H21ClN2O2 and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-chlorophenyl)-6-(3-hydroxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: A2557/0108905, 3-(2-chlorophenyl)-11-(3-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(2-chlorophenyl)-6-(3-hydroxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 3-(2-chlorophenyl)-11-(3-hydroxyphenyl)-2,3,4-trihydro-5H,10H,11H-benzo[b]benz o[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C25H21ClN2O2 |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 6.0251 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.12915 |
| Heavy Atoms | 30 |
| Complexity | 1171.0701 |
Chemical Identifiers
| CAS Number | 347326-30-1 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC(=CC=C4)O)C5=CC=CC=C5Cl |
Product Overview
A2557/0108905 (CAS 347326-30-1), with molecular formula C25H21ClN2O2 and molecular weight 416.13 g/mol. IUPAC: 9-(2-chlorophenyl)-6-(3-hydroxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of A2557/0108905
Property Insights of A2557/0108905
The XLogP value of 6.0251 indicates that A2557/0108905 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for A2557/0108905. Following Lipinski's Rule of Five, A2557/0108905 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2557/0108905?
The CAS number of A2557/0108905 is 347326-30-1.
What is the molecular formula of A2557/0108905?
The molecular formula of A2557/0108905 is C25H21ClN2O2.
What is the molecular weight of A2557/0108905?
The molecular weight of A2557/0108905 is 416.13 g/mol.
Where can I buy A2557/0108905?
You can request a quote for A2557/0108905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2557/0108905?
Yes, KEHONG BIO provides custom synthesis services for A2557/0108905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.