TL;DR: Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)- (CAS 72042-03-6) is a chemical compound with molecular formula C15H20N4 and molecular weight 256.1688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-1-(2-methylquinolin-4-yl)guanidine
Also Known As: 1-tert-Butyl-2-(2-methyl-4-quinolyl)guanidine, GUANIDINE, 1-tert-BUTYL-2-(2-METHYL-4-QUINOLYL)-, 2-tert-butyl-1-(2-methylquinolin-4-yl)guanidine, N''-tert-Butyl-N-(2-methylquinolin-4-yl)guanidine, GUANIDINE,1-tert-BUTYL-2-(2-METHYL-4-QUINOLYL)
| Molecular Formula | C15H20N4 |
| Molecular Weight | 256.1688 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.1688 Da |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
| SMILES | CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)N |
| InChIKey | LQNRXRWZHSDOSV-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-. Following Lipinski's Rule of Five, Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)- is 72042-03-6.
The molecular formula of Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)- is C15H20N4.
The molecular weight of Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)- is 256.1688 g/mol.
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