AJ-292/12676427
TL;DR: AJ-292/12676427 (CAS 317844-63-6) is a chemical compound with molecular formula C23H18Cl2N2OS2 and molecular weight 472.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-10-[(3,4-dichlorophenyl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: AJ-292/12676427, 3-benzyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 11-Benzyl-10-[(3,4-dichlorophenyl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 2-benzyl-3-[(3,4-dichlorophenyl)methylsulfanyl]-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one, 3-benzyl-2-((3,4-dichlorobenzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C23H18Cl2N2OS2 |
|---|---|
| Molecular Weight | 472.02 g/mol |
| LogP | 6.5941 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.02377 |
| Heavy Atoms | 30 |
| Complexity | 1298.2949 |
Chemical Identifiers
| CAS Number | 317844-63-6 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC(=C(C=C4)Cl)Cl)CC5=CC=CC=C5 |
Product Overview
AJ-292/12676427 (CAS 317844-63-6), with molecular formula C23H18Cl2N2OS2 and molecular weight 472.02 g/mol. IUPAC: 11-benzyl-10-[(3,4-dichlorophenyl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of AJ-292/12676427
Property Insights of AJ-292/12676427
The XLogP value of 6.5941 indicates that AJ-292/12676427 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, AJ-292/12676427 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/12676427 has 0 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 AJ-292/12676427?
The CAS number of AJ-292/12676427 is 317844-63-6.
What is the molecular formula of AJ-292/12676427?
The molecular formula of AJ-292/12676427 is C23H18Cl2N2OS2.
What is the molecular weight of AJ-292/12676427?
The molecular weight of AJ-292/12676427 is 472.02 g/mol.
Where can I buy AJ-292/12676427?
You can request a quote for AJ-292/12676427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/12676427?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/12676427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.