4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester
TL;DR: 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester (CAS 71079-36-2) is a chemical compound with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[N'-tert-butyl-N-(2-methylquinolin-4-yl)carbamimidoyl]amino]-1,3-thiazole-4-carboxylate
Also Known As: 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester, 4-Thiazolecarboxylic acid, 2-(3-tert-butyl-2-(2-methyl-4-quinolyl)guanidino)-, ethyl ester, ethyl 2-[[N'-tert-butyl-N-(2-methylquinolin-4-yl)carbamimidoyl]amino]-1,3-thiazole-4-carboxylate, Ethyl 2-{[N'-tert-butyl-N-(2-methylquinolin-4-yl)carbamimidoyl]amino}-1,3-thiazole-4-carboxylate, BRN 5644219
| Molecular Formula | C21H25N5O2S |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 4.85492 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.17288 |
| Heavy Atoms | 29 |
| Complexity | 1052.6512 |
Chemical Identifiers
| CAS Number | 71079-36-2 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)NC(=NC(C)(C)C)NC2=CC(=NC3=CC=CC=C32)C |
Product Overview
4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester (CAS 71079-36-2), with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol. IUPAC: ethyl 2-[[N'-tert-butyl-N-(2-methylquinolin-4-yl)carbamimidoyl]amino]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester
Property Insights of 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester
The XLogP value of 4.85492 indicates that 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester. Following Lipinski's Rule of Five, 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester has 2 hydrogen bond donor(s) and 6 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 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester?
The CAS number of 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester is 71079-36-2.
What is the molecular formula of 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester?
The molecular formula of 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester is C21H25N5O2S.
What is the molecular weight of 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester?
The molecular weight of 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester is 411.17 g/mol.
Where can I buy 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester?
You can request a quote for 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.