2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile
TL;DR: 2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 444153-69-9) is a chemical compound with molecular formula C27H20Cl2N2OS and molecular weight 490.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
Also Known As: BAS 01816441, 2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile, 2-(2,4-Dichloro-benzylsulfanyl)-4-(2-methoxy-phenyl)-6-p-tolyl-nicotinonitrile, 2-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
| Molecular Formula | C27H20Cl2N2OS |
|---|---|
| Molecular Weight | 490.07 g/mol |
| LogP | 8.2034 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.06735 |
| Heavy Atoms | 33 |
| Complexity | 1347.5704 |
Chemical Identifiers
| CAS Number | 444153-69-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3OC)C#N)SCC4=C(C=C(C=C4)Cl)Cl |
Product Overview
2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 444153-69-9), with molecular formula C27H20Cl2N2OS and molecular weight 490.07 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile
Property Insights of 2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile
The XLogP value of 8.2034 indicates that 2-((2,4-Dichlorobenzyl)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-((2,4-Dichlorobenzyl)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-((2,4-Dichlorobenzyl)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-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile?
The CAS number of 2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile is 444153-69-9.
What is the molecular formula of 2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile?
The molecular formula of 2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile is C27H20Cl2N2OS.
What is the molecular weight of 2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile?
The molecular weight of 2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile is 490.07 g/mol.
Where can I buy 2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile?
You can request a quote for 2-((2,4-Dichlorobenzyl)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-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,4-Dichlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.