5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
TL;DR: 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester (CAS 344-72-9) is a chemical compound with molecular formula C7H7F3N2O2S and molecular weight 240.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate, ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, BROMOCRESOLPURPLE, Maybridge3_003032, 2-AMINO-4-TRIFLUOROMETHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
| Molecular Formula | C7H7F3N2O2S |
|---|---|
| Molecular Weight | 240.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.01804 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 344-72-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N)C(F)(F)F |
| InChIKey | XJRPTMORGOIMMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester (CAS 344-72-9), with molecular formula C7H7F3N2O2S and molecular weight 240.02 g/mol. IUPAC: ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
Chemical Property Profile of 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
Property Insights of 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester. Following Lipinski's Rule of Five, 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester has 1 hydrogen bond donor(s) and 8 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 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester?
The CAS number of 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester is 344-72-9.
What is the molecular formula of 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester?
The molecular formula of 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester is C7H7F3N2O2S.
What is the molecular weight of 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester?
The molecular weight of 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester is 240.02 g/mol.
Where can I buy 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester?
You can request a quote for 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.