6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile
TL;DR: 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile (CAS 607697-25-6) is a chemical compound with molecular formula C12H7F3N2OS and molecular weight 284.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-yl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: TimTec1_003013, 6-(2-furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile, AM-807/41463142, 6-(furan-2-yl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile, BRD-K31121294-001-01-5
| Molecular Formula | C12H7F3N2OS |
|---|---|
| Molecular Weight | 284.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.02313 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 607697-25-6 |
|---|---|
| SMILES | CSC1=C(C(=CC(=N1)C2=CC=CO2)C(F)(F)F)C#N |
| InChIKey | HWKODSGNNYGYJT-UHFFFAOYSA-N |
Product Overview
6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile (CAS 607697-25-6), with molecular formula C12H7F3N2OS and molecular weight 284.02 g/mol. IUPAC: 6-(furan-2-yl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile
Property Insights of 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 3.1 indicates that 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile. Following Lipinski's Rule of Five, 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 7 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-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile is 607697-25-6.
What is the molecular formula of 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile is C12H7F3N2OS.
What is the molecular weight of 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile is 284.02 g/mol.
Where can I buy 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 6-(2-Furyl)-2-(methylsulfanyl)-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-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Furyl)-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.