2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
TL;DR: 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile (CAS 332175-72-1) is a chemical compound with molecular formula C26H19ClN2OS and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Also Known As: BAS 01279987, 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile, 2-(2-Chloro-benzylsulfanyl)-6-(4-methoxy-phenyl)-4-phenyl-nicotinonitrile, 2-[(2-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile, 2-[(2-chlorophenyl)methylthio]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonit rile
| Molecular Formula | C26H19ClN2OS |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 7.24158 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.09067 |
| Heavy Atoms | 31 |
| Complexity | 1234.7369 |
Chemical Identifiers
| CAS Number | 332175-72-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4=CC=CC=C4Cl |
Product Overview
2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile (CAS 332175-72-1), with molecular formula C26H19ClN2OS and molecular weight 442.09 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
Property Insights of 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
The XLogP value of 7.24158 indicates that 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile 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-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile 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-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
The CAS number of 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile is 332175-72-1.
What is the molecular formula of 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
The molecular formula of 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile is C26H19ClN2OS.
What is the molecular weight of 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
The molecular weight of 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile is 442.09 g/mol.
Where can I buy 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
You can request a quote for 2-((2-Chlorobenzyl)thio)-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-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.