2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile
TL;DR: 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile (CAS 118948-01-9) is a chemical compound with molecular formula C13H8N4S and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile
Also Known As: 6-[(cyanomethyl)sulfanyl]-[2,3'-bipyridine]-5-carbonitrile, 2-(cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile, 6-[(cyanomethyl)thio]-2,3'-bipyridine-5-carbonitrile, 2-[(cyanomethyl)sulfanyl]-3-cyano-2,3'-bipyridine, AM-807/25099042
| Molecular Formula | C13H8N4S |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 2.63096 |
| Topological Polar Surface Area | 73.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.04697 |
| Heavy Atoms | 18 |
| Complexity | 625.67487 |
Chemical Identifiers
| CAS Number | 118948-01-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NC(=C(C=C2)C#N)SCC#N |
Product Overview
2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile (CAS 118948-01-9), with molecular formula C13H8N4S and molecular weight 252.05 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile
Property Insights of 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile
The XLogP value of 2.63096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile. The TPSA of 73.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 5 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-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The CAS number of 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile is 118948-01-9.
What is the molecular formula of 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The molecular formula of 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile is C13H8N4S.
What is the molecular weight of 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The molecular weight of 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile is 252.05 g/mol.
Where can I buy 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
You can request a quote for 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.