6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile (CAS 439107-58-1) is a chemical compound with molecular formula C14H9F3N2OS and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-methoxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile, 3T-0817, 6-(2-methoxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, 6-(2-methoxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
| Molecular Formula | C14H9F3N2OS |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 4.31027 |
| Topological Polar Surface Area | 48.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.03876 |
| Heavy Atoms | 21 |
| Complexity | 775.0093 |
Chemical Identifiers
| CAS Number | 439107-58-1 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=CC(=C(C(=S)N2)C#N)C(F)(F)F |
Product Overview
6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile (CAS 439107-58-1), with molecular formula C14H9F3N2OS and molecular weight 310.04 g/mol. IUPAC: 6-(2-methoxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 4.31027 indicates that 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.81 Ų, 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile has 1 hydrogen bond donor(s) and 3 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-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is 439107-58-1.
What is the molecular formula of 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is C14H9F3N2OS.
What is the molecular weight of 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile is 310.04 g/mol.
Where can I buy 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.