![Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate structure](/static/products/725/725694-99-5.png)
Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate
TL;DR: Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate (CAS 725694-99-5) is a chemical compound with molecular formula C15H13F3N2O4S and molecular weight 374.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate
Also Known As: ksc-8-163, methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate, methyl 3-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanoate, 3-(4-Phenyl-6-trifluoromethyl-pyrimidine-2-sulfonyl)-propionic acid methyl ester, methyl 3-((4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)propanoate
| Molecular Formula | C15H13F3N2O4S |
|---|---|
| Molecular Weight | 374.05 g/mol |
| LogP | 2.4992 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.0548 |
| Heavy Atoms | 25 |
| Complexity | 868.09033 |
Chemical Identifiers
| CAS Number | 725694-99-5 |
|---|---|
| SMILES | COC(=O)CCS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2 |
Product Overview
Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate (CAS 725694-99-5), with molecular formula C15H13F3N2O4S and molecular weight 374.05 g/mol. IUPAC: methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate.
Chemical Property Profile of Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate
Property Insights of Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate
The XLogP value of 2.4992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate. Following Lipinski's Rule of Five, Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate has 0 hydrogen bond donor(s) and 6 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 Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate?
The CAS number of Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate is 725694-99-5.
What is the molecular formula of Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate?
The molecular formula of Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate is C15H13F3N2O4S.
What is the molecular weight of Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate?
The molecular weight of Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate is 374.05 g/mol.
Where can I buy Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate?
You can request a quote for Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.