Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate
TL;DR: Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate (CAS 299198-22-4) is a chemical compound with molecular formula C15H11F3N2O2S2 and molecular weight 372.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: BAS 01862131, A0032/0001440, ETHYL ((3-CYANO-6-(2-THIENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL)THIO)ACETATE, ethyl {[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate, ethyl {[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
| Molecular Formula | C15H11F3N2O2S2 |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 4.35578 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.0214 |
| Heavy Atoms | 24 |
| Complexity | 768.25684 |
Chemical Identifiers
| CAS Number | 299198-22-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N |
Product Overview
Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate (CAS 299198-22-4), with molecular formula C15H11F3N2O2S2 and molecular weight 372.02 g/mol. IUPAC: ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate
Property Insights of Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate
The XLogP value of 4.35578 indicates that Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate 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 Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate. Following Lipinski's Rule of Five, Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate 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 Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate?
The CAS number of Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate is 299198-22-4.
What is the molecular formula of Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate?
The molecular formula of Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate is C15H11F3N2O2S2.
What is the molecular weight of Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate?
The molecular weight of Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate is 372.02 g/mol.
Where can I buy Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate?
You can request a quote for Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.