2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile
TL;DR: 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile (CAS 332377-82-9) is a chemical compound with molecular formula C26H19ClN2OS and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
Also Known As: BAS 01516717, 2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile, 2-benzylsulfanyl-4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile, 2-Benzylsulfanyl-4-(4-chloro-phenyl)-6-(4-methoxy-phenyl)-nicotinonitrile, 4-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(phenylmethylthio)pyridine-3-carbonit rile
| Molecular Formula | C26H19ClN2OS |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 7.24158 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.09067 |
| Heavy Atoms | 31 |
| Complexity | 1217.4869 |
Chemical Identifiers
| CAS Number | 332377-82-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC4=CC=CC=C4 |
Product Overview
2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile (CAS 332377-82-9), with molecular formula C26H19ClN2OS and molecular weight 442.09 g/mol. IUPAC: 2-benzylsulfanyl-4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile
Property Insights of 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile
The XLogP value of 7.24158 indicates that 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)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-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)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-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile?
The CAS number of 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile is 332377-82-9.
What is the molecular formula of 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile?
The molecular formula of 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile is C26H19ClN2OS.
What is the molecular weight of 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile?
The molecular weight of 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile is 442.09 g/mol.
Where can I buy 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile?
You can request a quote for 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methoxyphenyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.