![2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile structure](/static/products/6253/625377-46-0.webp)
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile (CAS 625377-46-0) is a chemical compound with molecular formula C18H12ClF3N2OS and molecular weight 396.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-cyclopropyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-cyclopropyl-4-(trifluoromethyl)pyridine-3-carbonitrile, AM-807/41463576, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile
| Molecular Formula | C18H12ClF3N2OS |
|---|---|
| Molecular Weight | 396.03 g/mol |
| LogP | 5.47788 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.0311 |
| Heavy Atoms | 26 |
| Complexity | 887.03485 |
Chemical Identifiers
| CAS Number | 625377-46-0 |
|---|---|
| SMILES | C1CC1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile (CAS 625377-46-0), with molecular formula C18H12ClF3N2OS and molecular weight 396.03 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-cyclopropyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 5.47788 indicates that 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile is 625377-46-0.
What is the molecular formula of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile is C18H12ClF3N2OS.
What is the molecular weight of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile is 396.03 g/mol.
Where can I buy 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-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-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.