1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one
TL;DR: 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one (CAS 127183-45-3) is a chemical compound with molecular formula C8H7F3N2OS and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one
Also Known As: 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one, 1,1,1-trifluoro-3-(4-methylpyrimidin-2-yl)sulfanyl-propan-2-one, 1,1,1-Trifluoro-3-[(4-methylpyrimidin-2-yl)sulfanyl]propan-2-one
| Molecular Formula | C8H7F3N2OS |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.02312 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 127183-45-3 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)C(F)(F)F |
| InChIKey | TWIDQHNCLYMSGS-UHFFFAOYSA-N |
Product Overview
1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one (CAS 127183-45-3), with molecular formula C8H7F3N2OS and molecular weight 236.02 g/mol. IUPAC: 1,1,1-trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one.
Chemical Property Profile of 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one
Property Insights of 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one has 0 hydrogen bond donor(s) and 7 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 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one?
The CAS number of 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one is 127183-45-3.
What is the molecular formula of 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one?
The molecular formula of 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one is C8H7F3N2OS.
What is the molecular weight of 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one?
The molecular weight of 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one is 236.02 g/mol.
Where can I buy 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one?
You can request a quote for 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.