2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile
TL;DR: 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile (CAS 369402-61-9) is a chemical compound with molecular formula C27H22N2O2S2 and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-benzylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
Also Known As: 2-((2-(benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile, 2-(2-benzylsulfonylethylsulfanyl)-4,6-diphenyl-pyridine-3-carbonitrile, 2-(2-benzylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile, 2-{[2-(benzylsulfonyl)ethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile, 4,6-DIPHENYL-2-[(2-PHENYLMETHANESULFONYLETHYL)SULFANYL]PYRIDINE-3-CARBONITRILE
| Molecular Formula | C27H22N2O2S2 |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 5.99438 |
| Topological Polar Surface Area | 70.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.11227 |
| Heavy Atoms | 33 |
| Complexity | 1366.5626 |
Chemical Identifiers
| CAS Number | 369402-61-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N |
Product Overview
2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile (CAS 369402-61-9), with molecular formula C27H22N2O2S2 and molecular weight 470.11 g/mol. IUPAC: 2-(2-benzylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile
Property Insights of 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile
The XLogP value of 5.99438 indicates that 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile. Following Lipinski's Rule of Five, 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile 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-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile?
The CAS number of 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile is 369402-61-9.
What is the molecular formula of 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile?
The molecular formula of 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile is C27H22N2O2S2.
What is the molecular weight of 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile?
The molecular weight of 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile is 470.11 g/mol.
Where can I buy 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile?
You can request a quote for 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(Benzylsulfonyl)ethyl)thio)-4,6-diphenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.