![{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid structure](/static/products/871/87125-98-2.png)
{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid
TL;DR: {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid (CAS 87125-98-2) is a chemical compound with molecular formula C14H11F3N2O2S and molecular weight 328.05 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-2-phenylacetic acid
Also Known As: AB01322432-02, 2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-2-phenylacetic acid, {[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid, 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-2-phenylacetic acid, 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-ylthio]-2-phenylacetic acid
| Molecular Formula | C14H11F3N2O2S |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 3.72182 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.04935 |
| Heavy Atoms | 22 |
| Complexity | 677.5333 |
Chemical Identifiers
| CAS Number | 87125-98-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)O)C(F)(F)F |
Product Overview
{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid (CAS 87125-98-2), with molecular formula C14H11F3N2O2S and molecular weight 328.05 g/mol. IUPAC: 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-2-phenylacetic acid.
Chemical Property Profile of {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid
Property Insights of {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid
The XLogP value of 3.72182 indicates that {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid. Following Lipinski's Rule of Five, {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid has 1 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 {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid?
The CAS number of {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid is 87125-98-2.
What is the molecular formula of {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid?
The molecular formula of {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid is C14H11F3N2O2S.
What is the molecular weight of {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid?
The molecular weight of {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid is 328.05 g/mol.
Where can I buy {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid?
You can request a quote for {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.