Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)-
TL;DR: Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)- (CAS 60559-96-8) is a chemical compound with molecular formula C13H19N5 and molecular weight 245.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-2-(2-methylpentan-2-yl)-3-pyridin-3-ylguanidine
Also Known As: Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)-, 2-Cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)guanidine, Guanidine, N-cyano-N'-(1,1-dimethylbutyl)-N''-3-pyridinyl-, N"-cyano-N-(1,1-dimethylbutyl)-N'-3-pyridylguanidine, 1-cyano-2-(2-methylpentan-2-yl)-3-pyridin-3-ylguanidine
| Molecular Formula | C13H19N5 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 2.49888 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.16405 |
| Heavy Atoms | 18 |
| Complexity | 430.44485 |
Chemical Identifiers
| CAS Number | 60559-96-8 |
|---|---|
| SMILES | CCCC(C)(C)N=C(NC#N)NC1=CN=CC=C1 |
Product Overview
Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)- (CAS 60559-96-8), with molecular formula C13H19N5 and molecular weight 245.16 g/mol. IUPAC: 1-cyano-2-(2-methylpentan-2-yl)-3-pyridin-3-ylguanidine.
Chemical Property Profile of Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)-
Property Insights of Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)-
The XLogP value of 2.49888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)-. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)-. Following Lipinski's Rule of Five, Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)- has 2 hydrogen bond donor(s) and 3 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 Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)-?
The CAS number of Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)- is 60559-96-8.
What is the molecular formula of Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)-?
The molecular formula of Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)- is C13H19N5.
What is the molecular weight of Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)-?
The molecular weight of Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)- is 245.16 g/mol.
Where can I buy Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)-?
You can request a quote for Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 2-cyano-1-(1,1-dimethylbutyl)-3-(3-pyridyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.