2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile
TL;DR: 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile (CAS 332385-82-7) is a chemical compound with molecular formula C25H15Cl3N2S and molecular weight 480.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(4-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carbonitrile
Also Known As: BAS 01541889, 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile, 2-(2-Chloro-benzylsulfanyl)-4,6-bis-(4-chloro-phenyl)-nicotinonitrile, 4,6-bis(4-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carbonitrile
| Molecular Formula | C25H15Cl3N2S |
|---|---|
| Molecular Weight | 480.00 g/mol |
| LogP | 8.53978 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.00217 |
| Heavy Atoms | 31 |
| Complexity | 1263.6882 |
Chemical Identifiers
| CAS Number | 332385-82-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N)Cl |
Product Overview
2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile (CAS 332385-82-7), with molecular formula C25H15Cl3N2S and molecular weight 480.00 g/mol. IUPAC: 4,6-bis(4-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile
Property Insights of 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile
The XLogP value of 8.53978 indicates that 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)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-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)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-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile?
The CAS number of 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile is 332385-82-7.
What is the molecular formula of 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile?
The molecular formula of 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile is C25H15Cl3N2S.
What is the molecular weight of 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile?
The molecular weight of 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile is 480.00 g/mol.
Where can I buy 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile?
You can request a quote for 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)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-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.