![Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate structure](/static/products/445/445391-40-2.png)
Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
TL;DR: Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate (CAS 445391-40-2) is a chemical compound with molecular formula C20H19F3N2O2S and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate, benzyl 2-((6-(tert-butyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetate, benzyl 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate
| Molecular Formula | C20H19F3N2O2S |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 5.10508 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.11194 |
| Heavy Atoms | 28 |
| Complexity | 885.29456 |
Chemical Identifiers
| CAS Number | 445391-40-2 |
|---|---|
| SMILES | CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate (CAS 445391-40-2), with molecular formula C20H19F3N2O2S and molecular weight 408.11 g/mol. IUPAC: benzyl 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
Property Insights of Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
The XLogP value of 5.10508 indicates that Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}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 Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate?
The CAS number of Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate is 445391-40-2.
What is the molecular formula of Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate?
The molecular formula of Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate is C20H19F3N2O2S.
What is the molecular weight of Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate?
The molecular weight of Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate is 408.11 g/mol.
Where can I buy Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate?
You can request a quote for Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.