![2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid structure](/static/products/2991/299198-23-5.webp)
2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
TL;DR: 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid (CAS 299198-23-5) is a chemical compound with molecular formula C10H7F3N2O2S and molecular weight 276.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid
Also Known As: 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid, {[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]thio}acetic acid, A0032/0001441, {[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid, ([3-CYANO-6-METHYL-4-(TRIFLUOROMETHYL)PYRIDIN-2-YL]THIO)ACETIC ACID
| Molecular Formula | C10H7F3N2O2S |
|---|---|
| Molecular Weight | 276.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.01804 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 299198-23-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)O)C#N)C(F)(F)F |
| InChIKey | ZDUJNJUCHBLERY-UHFFFAOYSA-N |
Product Overview
2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid (CAS 299198-23-5), with molecular formula C10H7F3N2O2S and molecular weight 276.02 g/mol. IUPAC: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
Property Insights of 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid has 1 hydrogen bond donor(s) and 8 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 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid?
The CAS number of 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid is 299198-23-5.
What is the molecular formula of 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid is C10H7F3N2O2S.
What is the molecular weight of 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid is 276.02 g/mol.
Where can I buy 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.