Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)-
TL;DR: Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)- (CAS 67026-66-8) is a chemical compound with molecular formula C13H21N5O and molecular weight 263.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-2-(3,3-dimethylbutan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine
Also Known As: 2-Cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)guanidine, Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)-, Guanidine, N-cyano-N'-(3,5-dimethyl-4-isoxazolyl)-N''-(1,2,2-trimethylpropyl)-, 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine, N''-Cyano-N-(3,3-dimethylbutan-2-yl)-N'-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine
| Molecular Formula | C13H21N5O |
|---|---|
| Molecular Weight | 263.17 g/mol |
| LogP | 2.56462 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.17462 |
| Heavy Atoms | 19 |
| Complexity | 484.58374 |
Chemical Identifiers
| CAS Number | 67026-66-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)NC(=NC(C)C(C)(C)C)NC#N |
Product Overview
Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)- (CAS 67026-66-8), with molecular formula C13H21N5O and molecular weight 263.17 g/mol. IUPAC: 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine.
Chemical Property Profile of Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)-
Property Insights of Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)-
The XLogP value of 2.56462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)-. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)-. Following Lipinski's Rule of Five, Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)- 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, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)-?
The CAS number of Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)- is 67026-66-8.
What is the molecular formula of Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)-?
The molecular formula of Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)- is C13H21N5O.
What is the molecular weight of Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)-?
The molecular weight of Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)- is 263.17 g/mol.
Where can I buy Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)-?
You can request a quote for Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)- 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-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 2-cyano-1-(3,5-dimethyl-4-isoxazolyl)-3-(1,2,2-trimethylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.