Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate
TL;DR: Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate (CAS 67026-89-5) 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-3-(2-methylbutan-2-yl)-2-(pyridin-4-ylmethyl)guanidine
Also Known As: Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate, 2-Cyano-1-tert-pentyl-3-(4-pyridylmethyl)guanidine monohydrate, Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-(4-pyridinylmethyl)-, hydrate, 1-cyano-3-(2-methylbutan-2-yl)-2-(pyridin-4-ylmethyl)guanidine, N-Cyano-N'-(2-methylbutan-2-yl)-N''-[(pyridin-4-yl)methyl]guanidine
| Molecular Formula | C13H19N5 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 1.78648 |
| 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 | 67026-89-5 |
|---|---|
| SMILES | CCC(C)(C)NC(=NCC1=CC=NC=C1)NC#N |
Product Overview
Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate (CAS 67026-89-5), with molecular formula C13H19N5 and molecular weight 245.16 g/mol. IUPAC: 1-cyano-3-(2-methylbutan-2-yl)-2-(pyridin-4-ylmethyl)guanidine.
Chemical Property Profile of Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate
Property Insights of Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate
The XLogP value of 1.78648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate. Following Lipinski's Rule of Five, Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate 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-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate?
The CAS number of Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate is 67026-89-5.
What is the molecular formula of Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate?
The molecular formula of Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate is C13H19N5.
What is the molecular weight of Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate?
The molecular weight of Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate is 245.16 g/mol.
Where can I buy Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate?
You can request a quote for Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate 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-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.