![Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate structure](/static/products/6748/674805-46-0.webp)
Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate
TL;DR: Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate (CAS 674805-46-0) is a chemical compound with molecular formula C19H17F3N2O2S and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[6-benzyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoate
Also Known As: BAS 07418370, ethyl 2-{[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}propanoate, ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate, ethyl 2-{[6-benzyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}propanoate, Ethyl 2-((6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)propanoate
| Molecular Formula | C19H17F3N2O2S |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 4.60658 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.09628 |
| Heavy Atoms | 27 |
| Complexity | 848.51373 |
Chemical Identifiers
| CAS Number | 674805-46-0 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC(=CC(=C1C#N)C(F)(F)F)CC2=CC=CC=C2 |
Product Overview
Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate (CAS 674805-46-0), with molecular formula C19H17F3N2O2S and molecular weight 394.10 g/mol. IUPAC: ethyl 2-[[6-benzyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoate.
Chemical Property Profile of Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate
Property Insights of Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate
The XLogP value of 4.60658 indicates that Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate 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-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate. Following Lipinski's Rule of Five, Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate 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-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate?
The CAS number of Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate is 674805-46-0.
What is the molecular formula of Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate?
The molecular formula of Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate is C19H17F3N2O2S.
What is the molecular weight of Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate?
The molecular weight of Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate is 394.10 g/mol.
Where can I buy Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate?
You can request a quote for Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate 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-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.