Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)-
TL;DR: Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)- (CAS 67026-65-7) is a chemical compound with molecular formula C11H17N5O and molecular weight 235.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine
Also Known As: Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)-, 1-tert-Butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)guanidine, Guanidine, N-cyano-N'-(1,1-dimethylethyl)-N''-(3,5-dimethyl-4-isoxazolyl)-, 2-tert-butyl-1-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine, N''-tert-Butyl-N-cyano-N'-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine
| Molecular Formula | C11H17N5O |
|---|---|
| Molecular Weight | 235.14 g/mol |
| LogP | 1.92852 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.14331 |
| Heavy Atoms | 17 |
| Complexity | 441.68683 |
Chemical Identifiers
| CAS Number | 67026-65-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)NC(=NC(C)(C)C)NC#N |
Product Overview
Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)- (CAS 67026-65-7), with molecular formula C11H17N5O and molecular weight 235.14 g/mol. IUPAC: 2-tert-butyl-1-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine.
Chemical Property Profile of Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)-
Property Insights of Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)-
The XLogP value of 1.92852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)-. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)-. Following Lipinski's Rule of Five, Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)- has 2 hydrogen bond donor(s) and 4 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-(3,5-dimethyl-4-isoxazolyl)-?
The CAS number of Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)- is 67026-65-7.
What is the molecular formula of Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)-?
The molecular formula of Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)- is C11H17N5O.
What is the molecular weight of Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)-?
The molecular weight of Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)- is 235.14 g/mol.
Where can I buy Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)-?
You can request a quote for Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)- 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-(3,5-dimethyl-4-isoxazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-tert-butyl-2-cyano-3-(3,5-dimethyl-4-isoxazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.