2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile
TL;DR: 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 444156-97-2) is a chemical compound with molecular formula C28H22Cl2N2O2S and molecular weight 520.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
Also Known As: BAS 01883833, 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile, 2-(3,4-Dichloro-benzylsulfanyl)-4-(3,4-dimethoxy-phenyl)-6-p-tolyl-nicotinonitrile, 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
| Molecular Formula | C28H22Cl2N2O2S |
|---|---|
| Molecular Weight | 520.08 g/mol |
| LogP | 8.212 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.0779 |
| Heavy Atoms | 35 |
| Complexity | 1416.1241 |
Chemical Identifiers
| CAS Number | 444156-97-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C=C3)OC)OC)C#N)SCC4=CC(=C(C=C4)Cl)Cl |
Product Overview
2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 444156-97-2), with molecular formula C28H22Cl2N2O2S and molecular weight 520.08 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile
Property Insights of 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile
The XLogP value of 8.212 indicates that 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-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 55.14 Ų, 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile?
The CAS number of 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile is 444156-97-2.
What is the molecular formula of 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile?
The molecular formula of 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile is C28H22Cl2N2O2S.
What is the molecular weight of 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile?
The molecular weight of 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile is 520.08 g/mol.
Where can I buy 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile?
You can request a quote for 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-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-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,4-Dichlorobenzyl)thio)-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.