2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
TL;DR: 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile (CAS 78564-18-8) is a chemical compound with molecular formula C19H14N2OS and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: NEFQNLIWROZBFD-UHFFFAOYSA-, 2-mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile, 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile, 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylpyridine-3-carbonitrile, 6-(4-methoxyphenyl)-4-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C19H14N2OS |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.08267 |
| Heavy Atoms | 23 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 78564-18-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=CC=C3 |
| InChIKey | NEFQNLIWROZBFD-UHFFFAOYSA-N |
Product Overview
2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile (CAS 78564-18-8), with molecular formula C19H14N2OS and molecular weight 318.08 g/mol. IUPAC: 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
Property Insights of 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
The XLogP value of 3.5 indicates that 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile. Following Lipinski's Rule of Five, 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile 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-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
The CAS number of 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile is 78564-18-8.
What is the molecular formula of 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
The molecular formula of 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile is C19H14N2OS.
What is the molecular weight of 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
The molecular weight of 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile is 318.08 g/mol.
Where can I buy 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
You can request a quote for 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.