![2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile structure](/static/products/7856/78564-27-9.webp)
2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile
TL;DR: 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile (CAS 78564-27-9) is a chemical compound with molecular formula C20H13N3S and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
Also Known As: 2-[(cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile, BAS 00925663, 2-(cyanomethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile, 2-Cyanomethylsulfanyl-4,6-diphenyl-nicotinonitrile, 3-Pyridinecarbonitrile, 2-[(cyanomethyl)thio]-4,6-diphenyl-
| Molecular Formula | C20H13N3S |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 4.90296 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.083 |
| Heavy Atoms | 24 |
| Complexity | 922.8381 |
Chemical Identifiers
| CAS Number | 78564-27-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC#N)C3=CC=CC=C3 |
Product Overview
2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile (CAS 78564-27-9), with molecular formula C20H13N3S and molecular weight 327.08 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile
Property Insights of 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile
The XLogP value of 4.90296 indicates that 2-[(Cyanomethyl)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-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile. Following Lipinski's Rule of Five, 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile?
The CAS number of 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile is 78564-27-9.
What is the molecular formula of 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile?
The molecular formula of 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile is C20H13N3S.
What is the molecular weight of 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile?
The molecular weight of 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile is 327.08 g/mol.
Where can I buy 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile?
You can request a quote for 2-[(Cyanomethyl)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-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Cyanomethyl)sulfanyl]-4,6-diphenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.