Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl-
TL;DR: Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl- (CAS 72042-06-9) is a chemical compound with molecular formula C21H24N4 and molecular weight 332.20 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-phenylguanidine
Also Known As: 1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-phenylguanidine, GUANIDINE, 1-tert-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-PHENYL-, 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-phenylguanidine, N''-tert-Butyl-N-(2-methylquinolin-4-yl)-N'-phenylguanidine, N'-tert-butyl-N''-(2-methylquinolin-4-yl)-N-phenylguanidine
| Molecular Formula | C21H24N4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.2001 |
| Heavy Atoms | 25 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 72042-06-9 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=CC=CC=C3 |
| InChIKey | DCBOXOCZKNAJAO-UHFFFAOYSA-N |
Product Overview
Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl- (CAS 72042-06-9), with molecular formula C21H24N4 and molecular weight 332.20 g/mol. IUPAC: 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-phenylguanidine.
Chemical Property Profile of Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl-
Property Insights of Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl-
The XLogP value of 4.2 indicates that Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl- has 2 hydrogen bond donor(s) and 2 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-(2-methyl-4-quinolyl)-3-phenyl-?
The CAS number of Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl- is 72042-06-9.
What is the molecular formula of Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl-?
The molecular formula of Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl- is C21H24N4.
What is the molecular weight of Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl-?
The molecular weight of Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl- is 332.20 g/mol.
Where can I buy Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl-?
You can request a quote for Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl- 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-(2-methyl-4-quinolyl)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.