![3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/6781/678167-83-4.webp)
3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one (CAS 678167-83-4) is a chemical compound with molecular formula C17H15F3N2OS2 and molecular weight 384.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,6-trimethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
Also Known As: 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one, 3,5,6-trimethyl-2-((3-(trifluoromethyl)benzyl)thio)thieno[2,3-d]pyrimidin-4(3H)-one, 3,5,6-trimethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one, 3,5,6-trimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3,5,6-trimethyl-2-{[3-(trifluoromethyl)phenyl]methylthio}-3-hydrothiopheno[2,3 -d]pyrimidin-4-one
| Molecular Formula | C17H15F3N2OS2 |
|---|---|
| Molecular Weight | 384.06 g/mol |
| LogP | 4.92294 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.0578 |
| Heavy Atoms | 25 |
| Complexity | 1005.52124 |
Chemical Identifiers
| CAS Number | 678167-83-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)C)C |
Product Overview
3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one (CAS 678167-83-4), with molecular formula C17H15F3N2OS2 and molecular weight 384.06 g/mol. IUPAC: 3,5,6-trimethyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.92294 indicates that 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-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, 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-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 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one is 678167-83-4.
What is the molecular formula of 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one is C17H15F3N2OS2.
What is the molecular weight of 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one is 384.06 g/mol.
Where can I buy 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5,6-trimethyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.