Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano-
TL;DR: Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano- (CAS 67026-61-3) is a chemical compound with molecular formula C11H14ClN5 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-(5-chloro-2-pyridinyl)-3-cyanoguanidine
Also Known As: 1-tert-Butyl-3-(5-chloro-2-pyridyl)-2-cyanoguanidine, 5-22-08-00457 (Beilstein Handbook Reference), GUANIDINE, 1-tert-BUTYL-3-(5-CHLORO-2-PYRIDYL)-2-CYANO-, 2-tert-butyl-1-(5-chloropyridin-2-yl)-3-cyanoguanidine, N''-tert-Butyl-N-(5-chloropyridin-2-yl)-N'-cyanoguanidine
| Molecular Formula | C11H14ClN5 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.09378 |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 67026-61-3 |
|---|---|
| SMILES | CC(C)(C)N=C(NC#N)NC1=NC=C(C=C1)Cl |
| InChIKey | ATGSANDUJXUWDC-UHFFFAOYSA-N |
Product Overview
Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano- (CAS 67026-61-3), with molecular formula C11H14ClN5 and molecular weight 251.09 g/mol. IUPAC: 2-tert-butyl-1-(5-chloro-2-pyridinyl)-3-cyanoguanidine.
Chemical Property Profile of Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano-
Property Insights of Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano-. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano-. Following Lipinski's Rule of Five, Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano- 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-3-(5-chloro-2-pyridyl)-2-cyano-?
The CAS number of Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano- is 67026-61-3.
What is the molecular formula of Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano-?
The molecular formula of Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano- is C11H14ClN5.
What is the molecular weight of Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano-?
The molecular weight of Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano- is 251.09 g/mol.
Where can I buy Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano-?
You can request a quote for Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano- 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-3-(5-chloro-2-pyridyl)-2-cyano-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-tert-butyl-3-(5-chloro-2-pyridyl)-2-cyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.