![2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/3511/351162-40-8.webp)
2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 351162-40-8) is a chemical compound with molecular formula C25H24N2OS2 and molecular weight 432.133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzylsulfanyl-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, AJ-292/15367070, 5-Benzylsulfanyl-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one, 2-(benzylthio)-3-(p-tolyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Technical Specifications
| Molecular Formula | C25H24N2OS2 |
| Molecular Weight | 432.133 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.133 Da |
| Heavy Atoms | 30 |
| Complexity | 639.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=CC=C4)SC5=C3CCCCC5 |
| InChIKey | KUIHOHDVAIVMBB-UHFFFAOYSA-N |
Chemical Property Profile of 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 7.0 indicates that 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is 351162-40-8.
What is the molecular formula of 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is C25H24N2OS2.
What is the molecular weight of 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is 432.133 g/mol.
Where can I buy 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, CoreyChem provides custom synthesis services for 2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.