AB00097686-01
TL;DR: AB00097686-01 (CAS 342391-94-0) is a chemical compound with molecular formula C23H18N2O2S2 and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-phenacylsulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: AB00097686-01, AE-848/36080020, 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-phenacylsulfanyl-2-phenyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one, 10-Phenacylsulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C23H18N2O2S2 |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 4.9109 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.08096 |
| Heavy Atoms | 29 |
| Complexity | 1261.0276 |
Chemical Identifiers
| CAS Number | 342391-94-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
AB00097686-01 (CAS 342391-94-0), with molecular formula C23H18N2O2S2 and molecular weight 418.08 g/mol. IUPAC: 10-phenacylsulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of AB00097686-01
Property Insights of AB00097686-01
The XLogP value of 4.9109 indicates that AB00097686-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, AB00097686-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00097686-01 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00097686-01?
The CAS number of AB00097686-01 is 342391-94-0.
What is the molecular formula of AB00097686-01?
The molecular formula of AB00097686-01 is C23H18N2O2S2.
What is the molecular weight of AB00097686-01?
The molecular weight of AB00097686-01 is 418.08 g/mol.
Where can I buy AB00097686-01?
You can request a quote for AB00097686-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097686-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097686-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.