2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile
TL;DR: 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile (CAS 438221-56-8) 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.
4-(4-methoxyphenyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 2-MERCAPTO-4-(4-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)NICOTINONITRILE, 4-(4-methoxyphenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, 4-(4-methoxyphenyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 4-(4-methoxyphenyl)-2-sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile, 3-pyridinecarbonitrile, 2-mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)-
| 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 | 757.7593 |
Chemical Identifiers
| CAS Number | 438221-56-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=S)NC(=C2)C(F)(F)F)C#N |
Product Overview
2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile (CAS 438221-56-8), with molecular formula C14H9F3N2OS and molecular weight 310.04 g/mol. IUPAC: 4-(4-methoxyphenyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile
Property Insights of 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile
The XLogP value of 4.31027 indicates that 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.81 Ų, 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile 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 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile is 438221-56-8.
What is the molecular formula of 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile is C14H9F3N2OS.
What is the molecular weight of 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile is 310.04 g/mol.
Where can I buy 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-Mercapto-4-(4-methoxyphenyl)-6-(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-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.