Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)-
TL;DR: Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)- (CAS 67026-87-3) is a chemical compound with molecular formula C12H17N5 and molecular weight 231.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-cyano-2-(pyridin-2-ylmethyl)guanidine
Also Known As: 1-tert-Butyl-2-cyano-3- guanidine, 1-tert-Butyl-2-cyano-3-(2-pyridylmethyl)guanidine, GUANIDINE, 1-tert-BUTYL-2-CYANO-3-(2-PYRIDYLMETHYL)-, 1-tert-butyl-3-cyano-2-(pyridin-2-ylmethyl)guanidine, N-tert-butyl-N''-cyano-N'-[(pyridin-2-yl)methyl]guanidine
| Molecular Formula | C12H17N5 |
|---|---|
| Molecular Weight | 231.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.14839 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 67026-87-3 |
|---|---|
| SMILES | CC(C)(C)NC(=NCC1=CC=CC=N1)NC#N |
| InChIKey | DNGVGYXCGZEIMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)- (CAS 67026-87-3), with molecular formula C12H17N5 and molecular weight 231.15 g/mol. IUPAC: 1-tert-butyl-3-cyano-2-(pyridin-2-ylmethyl)guanidine.
Chemical Property Profile of Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)-
Property Insights of Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)-. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)-. Following Lipinski's Rule of Five, Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)- 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, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)-?
The CAS number of Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)- is 67026-87-3.
What is the molecular formula of Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)-?
The molecular formula of Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)- is C12H17N5.
What is the molecular weight of Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)-?
The molecular weight of Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)- is 231.15 g/mol.
Where can I buy Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)-?
You can request a quote for Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.