2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile
TL;DR: 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile (CAS 339199-79-0) is a chemical compound with molecular formula C23H21ClN2S and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-4-(4-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
Also Known As: 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile, BAS 01816528, 2-Butylsulfanyl-4-(4-chloro-phenyl)-6-p-tolyl-nicotinonitrile, 2-butylthio-4-(4-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile, 2-butylsulfanyl-4-(4-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
| Molecular Formula | C23H21ClN2S |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 7.1413 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.1114 |
| Heavy Atoms | 27 |
| Complexity | 957.4088 |
Chemical Identifiers
| CAS Number | 339199-79-0 |
|---|---|
| SMILES | CCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl)C#N |
Product Overview
2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile (CAS 339199-79-0), with molecular formula C23H21ClN2S and molecular weight 392.11 g/mol. IUPAC: 2-butylsulfanyl-4-(4-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile
Property Insights of 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile
The XLogP value of 7.1413 indicates that 2-(Butylthio)-4-(4-chlorophenyl)-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 36.68 Ų, 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile 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 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile?
The CAS number of 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile is 339199-79-0.
What is the molecular formula of 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile?
The molecular formula of 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile is C23H21ClN2S.
What is the molecular weight of 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile?
The molecular weight of 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile is 392.11 g/mol.
Where can I buy 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile?
You can request a quote for 2-(Butylthio)-4-(4-chlorophenyl)-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-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.