![{[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid structure](/static/products/851/851879-11-3.png)
{[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid
TL;DR: {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid (CAS 851879-11-3) is a chemical compound with molecular formula C14H7F3N2O3S2 and molecular weight 371.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid
Also Known As: {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid, 2-{[3-cyano-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid, 2-[3-cyano-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfanylacetic Acid, {[3-cyano-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid, 2-((3-cyano-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridin-2-yl)thio)acetic acid
| Molecular Formula | C14H7F3N2O3S2 |
|---|---|
| Molecular Weight | 371.99 g/mol |
| LogP | 3.44128 |
| Topological Polar Surface Area | 91.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.98502 |
| Heavy Atoms | 24 |
| Complexity | 827.0207 |
Chemical Identifiers
| CAS Number | 851879-11-3 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C2=C(N=C(C(=C2)C#N)SCC(=O)O)C(F)(F)F |
Product Overview
{[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid (CAS 851879-11-3), with molecular formula C14H7F3N2O3S2 and molecular weight 371.99 g/mol. IUPAC: 2-[[3-cyano-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid
Property Insights of {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid
The XLogP value of 3.44128 indicates that {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.05 Ų falls within the moderate polarity range, balancing permeability and solubility for {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid. Following Lipinski's Rule of Five, {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid has 1 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 {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid?
The CAS number of {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid is 851879-11-3.
What is the molecular formula of {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid?
The molecular formula of {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid is C14H7F3N2O3S2.
What is the molecular weight of {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid?
The molecular weight of {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid is 371.99 g/mol.
Where can I buy {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid?
You can request a quote for {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[3-cyano-5-(thien-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]thio}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.