![2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one structure](/static/products/7178/717862-97-0.webp)
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one
TL;DR: 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one (CAS 717862-97-0) is a chemical compound with molecular formula C14H11F3N2OS and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-phenylethanone
Also Known As: AB00365615-03, 2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one, 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-phenylethanone, 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-ylthio]-1-phenylethan-1-one, 2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C14H11F3N2OS |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 3.77882 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0544 |
| Heavy Atoms | 21 |
| Complexity | 644.41254 |
Chemical Identifiers
| CAS Number | 717862-97-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)C(F)(F)F |
Product Overview
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one (CAS 717862-97-0), with molecular formula C14H11F3N2OS and molecular weight 312.05 g/mol. IUPAC: 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-phenylethanone.
Chemical Property Profile of 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one
Property Insights of 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one
The XLogP value of 3.77882 indicates that 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-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 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one?
The CAS number of 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one is 717862-97-0.
What is the molecular formula of 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one?
The molecular formula of 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one is C14H11F3N2OS.
What is the molecular weight of 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one?
The molecular weight of 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one is 312.05 g/mol.
Where can I buy 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one?
You can request a quote for 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-phenylethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.