![Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate structure](/static/products/4453/445391-37-7.webp)
Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate
TL;DR: Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate (CAS 445391-37-7) is a chemical compound with molecular formula C15H17F3N2O2S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate, (6-tert-Butyl-3-cyano-4-trifluoromethyl-pyridin-2-ylsulfanyl)-acetic acid ethyl ester, 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid ethyl ester, 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid ethyl ester, ethyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
| Molecular Formula | C15H17F3N2O2S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 3.92478 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.09628 |
| Heavy Atoms | 23 |
| Complexity | 631.325 |
Chemical Identifiers
| CAS Number | 445391-37-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(=CC(=N1)C(C)(C)C)C(F)(F)F)C#N |
Product Overview
Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate (CAS 445391-37-7), with molecular formula C15H17F3N2O2S and molecular weight 346.10 g/mol. IUPAC: ethyl 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate
Property Insights of Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate
The XLogP value of 3.92478 indicates that Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate 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 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate has 0 hydrogen bond donor(s) and 5 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 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate?
The CAS number of Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate is 445391-37-7.
What is the molecular formula of Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate?
The molecular formula of Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate is C15H17F3N2O2S.
What is the molecular weight of Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate?
The molecular weight of Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate is 346.10 g/mol.
Where can I buy Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate?
You can request a quote for Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.