1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine
TL;DR: 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine (CAS 71079-39-5) is a chemical compound with molecular formula C17H21N7 and molecular weight 323.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine
Also Known As: 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine, Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)-, N''-tert-Butyl-N-(2-methylquinolin-4(1H)-ylidene)-N'-4H-1,2,4-triazol-4-ylguanidine, 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine, N''-tert-Butyl-N-(2-methylquinolin-4(1H)-ylidene)-N'-(4H-1,2,4-triazol-4-yl)guanidine
| Molecular Formula | C17H21N7 |
|---|---|
| Molecular Weight | 323.19 g/mol |
| LogP | 2.94482 |
| Topological Polar Surface Area | 80.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.18585 |
| Heavy Atoms | 24 |
| Complexity | 860.2765 |
Chemical Identifiers
| CAS Number | 71079-39-5 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NN3C=NN=C3 |
Product Overview
1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine (CAS 71079-39-5), with molecular formula C17H21N7 and molecular weight 323.19 g/mol. IUPAC: 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,2,4-triazol-4-yl)guanidine.
Chemical Property Profile of 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine
Property Insights of 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine
The XLogP value of 2.94482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine. The TPSA of 80.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine. Following Lipinski's Rule of Five, 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine 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 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine?
The CAS number of 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine is 71079-39-5.
What is the molecular formula of 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine?
The molecular formula of 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine is C17H21N7.
What is the molecular weight of 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine?
The molecular weight of 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine is 323.19 g/mol.
Where can I buy 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine?
You can request a quote for 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-(4H-1,2,4-triazol-4-yl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.