2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile (CAS 608492-93-9) is a chemical compound with molecular formula C16H13F3N2OS and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-(ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile, AO-022/41463267, 2-(ethylsulfanyl)-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-ethylsulfanyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile, F0921-4677
| Molecular Formula | C16H13F3N2OS |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 4.75968 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.07007 |
| Heavy Atoms | 23 |
| Complexity | 736.7162 |
Chemical Identifiers
| CAS Number | 608492-93-9 |
|---|---|
| SMILES | CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C(F)(F)F)C#N |
Product Overview
2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile (CAS 608492-93-9), with molecular formula C16H13F3N2OS and molecular weight 338.07 g/mol. IUPAC: 2-ethylsulfanyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 4.75968 indicates that 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 4 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 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile is 608492-93-9.
What is the molecular formula of 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile is C16H13F3N2OS.
What is the molecular weight of 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile is 338.07 g/mol.
Where can I buy 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.