![3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid structure](/static/products/6805/680579-41-3.webp)
3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid
TL;DR: 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid (CAS 680579-41-3) is a chemical compound with molecular formula C15H11F3N2O2S and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-amino-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]prop-2-enoic acid
Also Known As: 3-(5-amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid, 3-[5-Amino-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]phenyl]-2-propenoic acid, 2-Propenoic acid, 3-[5-amino-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]phenyl]-, 3-(5-AMINO-2-([5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]THIO)PHENYL)ACRYLIC ACID, 3-(5-amino-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)prop-2-enoic acid
| Molecular Formula | C15H11F3N2O2S |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 3.9316 |
| Topological Polar Surface Area | 76.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.04935 |
| Heavy Atoms | 23 |
| Complexity | 743.3775 |
Chemical Identifiers
| CAS Number | 680579-41-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)C=CC(=O)O)SC2=NC=C(C=C2)C(F)(F)F |
Product Overview
3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid (CAS 680579-41-3), with molecular formula C15H11F3N2O2S and molecular weight 340.05 g/mol. IUPAC: 3-[5-amino-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]prop-2-enoic acid.
Chemical Property Profile of 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid
Property Insights of 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid
The XLogP value of 3.9316 indicates that 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid. Following Lipinski's Rule of Five, 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid has 2 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 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid?
The CAS number of 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid is 680579-41-3.
What is the molecular formula of 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid?
The molecular formula of 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid is C15H11F3N2O2S.
What is the molecular weight of 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid?
The molecular weight of 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid is 340.05 g/mol.
Where can I buy 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid?
You can request a quote for 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Amino-2-{[5-(trifluoromethyl)pyridin-2-yl]thio}phenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.