6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile
TL;DR: 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile (CAS 625369-85-9) is a chemical compound with molecular formula C17H10F3N3OS and molecular weight 361.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-yl)-2-(pyridin-4-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: BAS 06901012, 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile, 6-(furan-2-yl)-2-(pyridin-4-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile, BRD-K83797194-001-09-3, 6-(2-furyl)-2-[(4-pyridinylmethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
| Molecular Formula | C17H10F3N3OS |
|---|---|
| Molecular Weight | 361.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.04968 |
| Heavy Atoms | 25 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 625369-85-9 |
|---|---|
| SMILES | C1=COC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=NC=C3 |
| InChIKey | PAXGBSJCQFOZJE-UHFFFAOYSA-N |
Product Overview
6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile (CAS 625369-85-9), with molecular formula C17H10F3N3OS and molecular weight 361.05 g/mol. IUPAC: 6-(furan-2-yl)-2-(pyridin-4-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile
Property Insights of 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile
The XLogP value of 3.5 indicates that 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile. Following Lipinski's Rule of Five, 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile has 0 hydrogen bond donor(s) and 8 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-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile?
The CAS number of 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile is 625369-85-9.
What is the molecular formula of 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile?
The molecular formula of 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile is C17H10F3N3OS.
What is the molecular weight of 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile?
The molecular weight of 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile is 361.05 g/mol.
Where can I buy 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile?
You can request a quote for 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-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-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.