6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile
TL;DR: 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile (CAS 893752-91-5) is a chemical compound with molecular formula C17H15F3N2O2S and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: VU0609004-1, 6-(3,4-dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile, F3290-0291, 6-(3,4-dimethoxyphenyl)-2-(ethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-(3,4-dimethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C17H15F3N2O2S |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 4.76828 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.08063 |
| Heavy Atoms | 25 |
| Complexity | 816.761 |
Chemical Identifiers
| CAS Number | 893752-91-5 |
|---|---|
| SMILES | CCSC1=C(C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C(F)(F)F)C#N |
Product Overview
6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile (CAS 893752-91-5), with molecular formula C17H15F3N2O2S and molecular weight 368.08 g/mol. IUPAC: 6-(3,4-dimethoxyphenyl)-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile
Property Insights of 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 4.76828 indicates that 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile 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 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile is 893752-91-5.
What is the molecular formula of 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile is C17H15F3N2O2S.
What is the molecular weight of 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile is 368.08 g/mol.
Where can I buy 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-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 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(3,4-Dimethoxyphenyl)-2-(ethylthio)-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.