Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide
TL;DR: Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide (CAS 67026-64-6) is a chemical compound with molecular formula C13H20IN5 and molecular weight 373.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-2-(2-methylbutan-2-yl)-3-(1-methylpyridin-1-ium-3-yl)guanidine iodide
Also Known As: Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide, 3-(2-Cyano-3-tert-pentylguanidino)-1-methylpyridinium iodide, N''-Cyano-N-3-(1-methylpyridinio)-N'-tert-pentylguanidine iodide, 3-(((Cyanoamino)((1,1-dimethylpropyl)amino)methylene)amino)-1-methylpyridinium iodide, Pyridinium, 3-(((cyanoamino)((1,1-dimethylpropyl)amino)methylene)amino)-1-methyl-, iodide
| Molecular Formula | C13H20IN5 |
|---|---|
| Molecular Weight | 373.08 g/mol |
| LogP | -1.45772 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.07635 |
| Heavy Atoms | 19 |
| Complexity | 476.16708 |
Chemical Identifiers
| CAS Number | 67026-64-6 |
|---|---|
| SMILES | CCC(C)(C)N=C(NC#N)NC1=C[N+](=CC=C1)C.[I-] |
Product Overview
Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide (CAS 67026-64-6), with molecular formula C13H20IN5 and molecular weight 373.08 g/mol. IUPAC: 1-cyano-2-(2-methylbutan-2-yl)-3-(1-methylpyridin-1-ium-3-yl)guanidine iodide.
Chemical Property Profile of Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide
Property Insights of Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide
The XLogP value of -1.45772 indicates that Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide. Following Lipinski's Rule of Five, Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide has 2 hydrogen bond donor(s) and 2 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 Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide?
The CAS number of Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide is 67026-64-6.
What is the molecular formula of Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide?
The molecular formula of Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide is C13H20IN5.
What is the molecular weight of Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide?
The molecular weight of Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide is 373.08 g/mol.
Where can I buy Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide?
You can request a quote for Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-(2-cyano-3-tert-pentylguanidino)-1-methyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.