Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano-
TL;DR: Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano- (CAS 67026-69-1) is a chemical compound with molecular formula C11H17ClN6 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-cyanoguanidine
Also Known As: 5-25-09-00484 (Beilstein Handbook Reference), 1-tert-Butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyanoguanidine, Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano-, Guanidine, N-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-N'-cyano-N''-(1,1-dimethylethyl)-, 2-tert-butyl-1-(4-chloro-2,5-dimethylpyrazol-3-yl)-3-cyanoguanidine
| Molecular Formula | C11H17ClN6 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 2.019 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.12033 |
| Heavy Atoms | 18 |
| Complexity | 502.8287 |
Chemical Identifiers
| CAS Number | 67026-69-1 |
|---|---|
| SMILES | CC1=NN(C(=C1Cl)NC(=NC(C)(C)C)NC#N)C |
Product Overview
Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano- (CAS 67026-69-1), with molecular formula C11H17ClN6 and molecular weight 268.12 g/mol. IUPAC: 2-tert-butyl-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-cyanoguanidine.
Chemical Property Profile of Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano-
Property Insights of Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano-
The XLogP value of 2.019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano-. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano-. Following Lipinski's Rule of Five, Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-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-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano-?
The CAS number of Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano- is 67026-69-1.
What is the molecular formula of Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano-?
The molecular formula of Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano- is C11H17ClN6.
What is the molecular weight of Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano-?
The molecular weight of Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano- is 268.12 g/mol.
Where can I buy Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano-?
You can request a quote for Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-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-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-tert-butyl-3-(4-chloro-1,3-dimethyl-4-pyrazolyl)-2-cyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.