4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
TL;DR: 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile (CAS 438218-95-2) is a chemical compound with molecular formula C13H6ClF3N2S and molecular weight 313.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, 4-(4-Chloro-phenyl)-2-thioxo-6-trifluoromethyl-1,2-dihydro-pyridine-3-carbonitrile, 4-(4-CHLOROPHENYL)-2-MERCAPTO-6-(TRIFLUOROMETHYL)NICOTINONITRILE, 4-(4-chlorophenyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
| Molecular Formula | C13H6ClF3N2S |
|---|---|
| Molecular Weight | 313.99 g/mol |
| LogP | 4.95507 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.98923 |
| Heavy Atoms | 20 |
| Complexity | 742.1823 |
Chemical Identifiers
| CAS Number | 438218-95-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=S)NC(=C2)C(F)(F)F)C#N)Cl |
Product Overview
4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile (CAS 438218-95-2), with molecular formula C13H6ClF3N2S and molecular weight 313.99 g/mol. IUPAC: 4-(4-chlorophenyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
Property Insights of 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 4.95507 indicates that 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 2 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 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is 438218-95-2.
What is the molecular formula of 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is C13H6ClF3N2S.
What is the molecular weight of 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile is 313.99 g/mol.
Where can I buy 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.