2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile
TL;DR: 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 337925-12-9) is a chemical compound with molecular formula C27H21ClN2OS and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
Also Known As: 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile, BAS 01403441, 2-(4-Chloro-benzylsulfanyl)-4-(2-methoxy-phenyl)-6-p-tolyl-nicotinonitrile, 2-[(4-chlorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile, 2-[(4-chlorobenzyl)sulfanyl]-4-(2-methoxyphenyl)-6-(4-methylphenyl)nicotinonitrile
| Molecular Formula | C27H21ClN2OS |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 7.55 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.10632 |
| Heavy Atoms | 32 |
| Complexity | 1278.7936 |
Chemical Identifiers
| CAS Number | 337925-12-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3OC)C#N)SCC4=CC=C(C=C4)Cl |
Product Overview
2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 337925-12-9), with molecular formula C27H21ClN2OS and molecular weight 456.11 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile
Property Insights of 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile
The XLogP value of 7.55 indicates that 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile?
The CAS number of 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile is 337925-12-9.
What is the molecular formula of 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile?
The molecular formula of 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile is C27H21ClN2OS.
What is the molecular weight of 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile?
The molecular weight of 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile is 456.11 g/mol.
Where can I buy 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile?
You can request a quote for 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.