A2558/0108947
TL;DR: A2558/0108947 (CAS 347328-94-3) is a chemical compound with molecular formula C24H21ClN2O2 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-chlorophenyl)-6-(5-methylfuran-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: A2558/0108947, 3-(2-chlorophenyl)-11-(5-methylfuran-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(2-chlorophenyl)-6-(5-methylfuran-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 14-(2-chlorophenyl)-10-(5-methylfuran-2-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one, 3-(2-chlorophenyl)-11-(5-methyl-2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C24H21ClN2O2 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 6.22092 |
| Topological Polar Surface Area | 54.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.12915 |
| Heavy Atoms | 29 |
| Complexity | 1131.1692 |
Chemical Identifiers
| CAS Number | 347328-94-3 |
|---|---|
| SMILES | CC1=CC=C(O1)C2C3=C(CC(CC3=O)C4=CC=CC=C4Cl)NC5=CC=CC=C5N2 |
Product Overview
A2558/0108947 (CAS 347328-94-3), with molecular formula C24H21ClN2O2 and molecular weight 404.13 g/mol. IUPAC: 9-(2-chlorophenyl)-6-(5-methylfuran-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of A2558/0108947
Property Insights of A2558/0108947
The XLogP value of 6.22092 indicates that A2558/0108947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.27 Ų, A2558/0108947 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2558/0108947 has 2 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 A2558/0108947?
The CAS number of A2558/0108947 is 347328-94-3.
What is the molecular formula of A2558/0108947?
The molecular formula of A2558/0108947 is C24H21ClN2O2.
What is the molecular weight of A2558/0108947?
The molecular weight of A2558/0108947 is 404.13 g/mol.
Where can I buy A2558/0108947?
You can request a quote for A2558/0108947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2558/0108947?
Yes, KEHONG BIO provides custom synthesis services for A2558/0108947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.