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2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile
TL;DR: 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile (CAS 330472-82-7) is a chemical compound with molecular formula C26H17N3S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-cyanophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile
Also Known As: 2-[(2-cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile, BAS 00714701, 3-cyano-2-(2-cyanobenzylthio)-4,6-diphenylpyridine, 2-(2-Cyano-benzylsulfanyl)-4,6-diphenyl-nicotinonitrile, 2-[(2-cyanophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile
| Molecular Formula | C26H17N3S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 6.45126 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.11432 |
| Heavy Atoms | 30 |
| Complexity | 1253.1998 |
Chemical Identifiers
| CAS Number | 330472-82-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3C#N)C4=CC=CC=C4 |
Product Overview
2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile (CAS 330472-82-7), with molecular formula C26H17N3S and molecular weight 403.11 g/mol. IUPAC: 2-[(2-cyanophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile
Property Insights of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile
The XLogP value of 6.45126 indicates that 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile. Following Lipinski's Rule of Five, 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile 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-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile?
The CAS number of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile is 330472-82-7.
What is the molecular formula of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile?
The molecular formula of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile is C26H17N3S.
What is the molecular weight of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile?
The molecular weight of 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile is 403.11 g/mol.
Where can I buy 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile?
You can request a quote for 2-[(2-Cyanobenzyl)sulfanyl]-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-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Cyanobenzyl)sulfanyl]-4,6-diphenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.