A2558/0108961
TL;DR: A2558/0108961 (CAS 347329-74-2) is a chemical compound with molecular formula C27H25ClN2O3 and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-chlorophenyl)-6-(2,5-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: A2558/0108961, 3-(2-chlorophenyl)-11-(2,5-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(2-chlorophenyl)-6-(2,5-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(2,5-dimethoxyphenyl)-3-(2-chlorophenyl)-2,3,4-trihydro-5H,10H,11H-benzo[b] benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C27H25ClN2O3 |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | 6.3367 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.15536 |
| Heavy Atoms | 33 |
| Complexity | 1253.6188 |
Chemical Identifiers
| CAS Number | 347329-74-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2C3=C(CC(CC3=O)C4=CC=CC=C4Cl)NC5=CC=CC=C5N2 |
Product Overview
A2558/0108961 (CAS 347329-74-2), with molecular formula C27H25ClN2O3 and molecular weight 460.16 g/mol. IUPAC: 9-(2-chlorophenyl)-6-(2,5-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of A2558/0108961
Property Insights of A2558/0108961
The XLogP value of 6.3367 indicates that A2558/0108961 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, A2558/0108961 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2558/0108961 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 A2558/0108961?
The CAS number of A2558/0108961 is 347329-74-2.
What is the molecular formula of A2558/0108961?
The molecular formula of A2558/0108961 is C27H25ClN2O3.
What is the molecular weight of A2558/0108961?
The molecular weight of A2558/0108961 is 460.16 g/mol.
Where can I buy A2558/0108961?
You can request a quote for A2558/0108961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2558/0108961?
Yes, KEHONG BIO provides custom synthesis services for A2558/0108961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.