2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile
TL;DR: 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile (CAS 332385-71-4) is a chemical compound with molecular formula C25H16Cl2N2S and molecular weight 446.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4,6-bis(4-chlorophenyl)pyridine-3-carbonitrile
Also Known As: BAS 01541876, 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile, 2-Benzylsulfanyl-4,6-bis-(4-chloro-phenyl)-nicotinonitrile, 2-benzylsulfanyl-4,6-bis(4-chlorophenyl)pyridine-3-carbonitrile
| Molecular Formula | C25H16Cl2N2S |
|---|---|
| Molecular Weight | 446.04 g/mol |
| LogP | 7.88638 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.04114 |
| Heavy Atoms | 30 |
| Complexity | 1199.0991 |
Chemical Identifiers
| CAS Number | 332385-71-4 |
|---|---|
| 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 |
Product Overview
2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile (CAS 332385-71-4), with molecular formula C25H16Cl2N2S and molecular weight 446.04 g/mol. IUPAC: 2-benzylsulfanyl-4,6-bis(4-chlorophenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile
Property Insights of 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile
The XLogP value of 7.88638 indicates that 2-(Benzylthio)-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-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylthio)-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-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile?
The CAS number of 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile is 332385-71-4.
What is the molecular formula of 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile?
The molecular formula of 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile is C25H16Cl2N2S.
What is the molecular weight of 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile?
The molecular weight of 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile is 446.04 g/mol.
Where can I buy 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile?
You can request a quote for 2-(Benzylthio)-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-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-4,6-bis(4-chlorophenyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.