1-(Dicyanomethylide)-4-methylpyridinium
TL;DR: 1-(Dicyanomethylide)-4-methylpyridinium (CAS 3189-57-9) is a chemical compound with molecular formula C9H7N3 and molecular weight 157.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-cyano-2-(4-methylpyridin-1-ium-1-yl)ethenylidene]azanide
Also Known As: 1-(dicyanomethylide)-4-methylpyridinium, 4-Methylpyridiniodicyanomethanide, (4-Methylpyridinio)dicyanomethanide, Dicyano(4-methylpyridinio)methanide, dicyano(4-methylpyridin-1-ium-1-yl)methanide
| Molecular Formula | C9H7N3 |
|---|---|
| Molecular Weight | 157.06 g/mol |
| LogP | 0.8861 |
| Topological Polar Surface Area | 49.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.064 |
| Heavy Atoms | 12 |
| Complexity | 363.75528 |
Chemical Identifiers
| CAS Number | 3189-57-9 |
|---|---|
| SMILES | CC1=CC=[N+](C=C1)C(=C=[N-])C#N |
Product Overview
1-(Dicyanomethylide)-4-methylpyridinium (CAS 3189-57-9), with molecular formula C9H7N3 and molecular weight 157.06 g/mol. IUPAC: [2-cyano-2-(4-methylpyridin-1-ium-1-yl)ethenylidene]azanide.
Chemical Property Profile of 1-(Dicyanomethylide)-4-methylpyridinium
Property Insights of 1-(Dicyanomethylide)-4-methylpyridinium
The XLogP value of 0.8861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Dicyanomethylide)-4-methylpyridinium. With a topological polar surface area (TPSA) of 49.97 Ų, 1-(Dicyanomethylide)-4-methylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dicyanomethylide)-4-methylpyridinium has 0 hydrogen bond donor(s) and 1 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 1-(Dicyanomethylide)-4-methylpyridinium?
The CAS number of 1-(Dicyanomethylide)-4-methylpyridinium is 3189-57-9.
What is the molecular formula of 1-(Dicyanomethylide)-4-methylpyridinium?
The molecular formula of 1-(Dicyanomethylide)-4-methylpyridinium is C9H7N3.
What is the molecular weight of 1-(Dicyanomethylide)-4-methylpyridinium?
The molecular weight of 1-(Dicyanomethylide)-4-methylpyridinium is 157.06 g/mol.
Where can I buy 1-(Dicyanomethylide)-4-methylpyridinium?
You can request a quote for 1-(Dicyanomethylide)-4-methylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dicyanomethylide)-4-methylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dicyanomethylide)-4-methylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.