![Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate structure](/static/products/4386/438606-08-7.webp)
Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate
TL;DR: Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate (CAS 438606-08-7) is a chemical compound with molecular formula C14H9F3N2O2S2 and molecular weight 358.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-cyano-2-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyridine-4-carboxylate
Also Known As: methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate, methyl 3-cyano-2-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyridine-4-carboxylate, methyl 3-cyano-2-((thiophen-2-ylmethyl)thio)-6-(trifluoromethyl)isonicotinate, methyl 3-cyano-2-(2-thienylmethylthio)-6-(trifluoromethyl)pyridine-4-carboxyla te, methyl 3-cyano-2-[(thiophen-2-ylmethyl)sulfanyl]-6-(trifluoromethyl)pyridine-4-carboxylate
| Molecular Formula | C14H9F3N2O2S2 |
|---|---|
| Molecular Weight | 358.01 g/mol |
| LogP | 4.11248 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.00577 |
| Heavy Atoms | 23 |
| Complexity | 752.61334 |
Chemical Identifiers
| CAS Number | 438606-08-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=NC(=C1C#N)SCC2=CC=CS2)C(F)(F)F |
Product Overview
Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate (CAS 438606-08-7), with molecular formula C14H9F3N2O2S2 and molecular weight 358.01 g/mol. IUPAC: methyl 3-cyano-2-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyridine-4-carboxylate.
Chemical Property Profile of Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate
Property Insights of Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate
The XLogP value of 4.11248 indicates that Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate. Following Lipinski's Rule of Five, Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate has 0 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 Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate?
The CAS number of Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate is 438606-08-7.
What is the molecular formula of Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate?
The molecular formula of Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate is C14H9F3N2O2S2.
What is the molecular weight of Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate?
The molecular weight of Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate is 358.01 g/mol.
Where can I buy Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate?
You can request a quote for Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-cyano-2-[(2-thienylmethyl)sulfanyl]-6-(trifluoromethyl)isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.