4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile
TL;DR: 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile (CAS 90732-64-2) is a chemical compound with molecular formula C20H16N2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile
Also Known As: 4-(4-methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile, AN-919/13952015, 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile
| Molecular Formula | C20H16N2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.10342 |
| Heavy Atoms | 23 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 90732-64-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC)C3=CC=CC=C3 |
| InChIKey | IXMSVAXPORUTPK-UHFFFAOYSA-N |
Product Overview
4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile (CAS 90732-64-2), with molecular formula C20H16N2S and molecular weight 316.10 g/mol. IUPAC: 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile
Property Insights of 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile
The XLogP value of 5.1 indicates that 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile. Following Lipinski's Rule of Five, 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile?
The CAS number of 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile is 90732-64-2.
What is the molecular formula of 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile?
The molecular formula of 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile is C20H16N2S.
What is the molecular weight of 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile?
The molecular weight of 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile is 316.10 g/mol.
Where can I buy 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile?
You can request a quote for 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)-2-(methylsulfanyl)-6-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.