![2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one structure](/static/products/877/877654-31-4.png)
2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
TL;DR: 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one (CAS 877654-31-4) is a chemical compound with molecular formula C16H15F3N2O2S2 and molecular weight 388.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylsulfanyl-3-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, F2014-0482, 2-propan-2-ylsulfanyl-3-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one, 2-(isopropylthio)-3-(4-(trifluoromethoxy)phenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C16H15F3N2O2S2 |
|---|---|
| Molecular Weight | 388.05 g/mol |
| LogP | 4.2798 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.0527 |
| Heavy Atoms | 25 |
| Complexity | 832.9991 |
Chemical Identifiers
| CAS Number | 877654-31-4 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC(F)(F)F)SCC2 |
Product Overview
2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one (CAS 877654-31-4), with molecular formula C16H15F3N2O2S2 and molecular weight 388.05 g/mol. IUPAC: 2-propan-2-ylsulfanyl-3-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
Property Insights of 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
The XLogP value of 4.2798 indicates that 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-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 44.12 Ų, 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one 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 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
The CAS number of 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one is 877654-31-4.
What is the molecular formula of 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
The molecular formula of 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one is C16H15F3N2O2S2.
What is the molecular weight of 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
The molecular weight of 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one is 388.05 g/mol.
Where can I buy 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
You can request a quote for 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-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 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(propan-2-ylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.