![3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/3511/351159-95-0.webp)
3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 351159-95-0) is a chemical compound with molecular formula C20H22N2OS2 and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-5-ethylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, AJ-292/15342005, 4-benzyl-5-ethylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one, 3-benzyl-2-(ethylthio)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C20H22N2OS2 |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 4.8872 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.11737 |
| Heavy Atoms | 25 |
| Complexity | 943.72485 |
Chemical Identifiers
| CAS Number | 351159-95-0 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CC=C4 |
Product Overview
3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 351159-95-0), with molecular formula C20H22N2OS2 and molecular weight 370.12 g/mol. IUPAC: 4-benzyl-5-ethylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 4.8872 indicates that 3-benzyl-2-(ethylsulfanyl)-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. With a topological polar surface area (TPSA) of 34.89 Ų, 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2-(ethylsulfanyl)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is 351159-95-0.
What is the molecular formula of 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is C20H22N2OS2.
What is the molecular weight of 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is 370.12 g/mol.
Where can I buy 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-(ethylsulfanyl)-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.