![2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid structure](/static/products/4778/477854-57-2.webp)
2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid
TL;DR: 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid (CAS 477854-57-2) is a chemical compound with molecular formula C18H11F3N2O2S and molecular weight 376.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxylic acid
Also Known As: 2-phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid, 11M-522S, 2-phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine-5-carboxylic acid, 2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxylic acid, 2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylic Acid
| Molecular Formula | C18H11F3N2O2S |
|---|---|
| Molecular Weight | 376.05 g/mol |
| LogP | 5.0118 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.04935 |
| Heavy Atoms | 26 |
| Complexity | 946.66626 |
Chemical Identifiers
| CAS Number | 477854-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=CC=CC(=C3)C(F)(F)F)C(=O)O |
Product Overview
2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid (CAS 477854-57-2), with molecular formula C18H11F3N2O2S and molecular weight 376.05 g/mol. IUPAC: 2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxylic acid.
Chemical Property Profile of 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid
Property Insights of 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid
The XLogP value of 5.0118 indicates that 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic 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 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid. Following Lipinski's Rule of Five, 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid?
The CAS number of 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid is 477854-57-2.
What is the molecular formula of 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid?
The molecular formula of 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid is C18H11F3N2O2S.
What is the molecular weight of 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid?
The molecular weight of 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid is 376.05 g/mol.
Where can I buy 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid?
You can request a quote for 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.