Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate
TL;DR: Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate (CAS 497083-35-9) is a chemical compound with molecular formula C13H11F3N2O3S and molecular weight 332.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylate
Also Known As: ethyl 2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylate, AO-990/40758066, ETHYL 4-((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)-3,5-THIAZOLECARBOXYLATE, ethyl 2-[4-(trifluoromethoxy)anilino]thiazole-4-carboxylate, Ethyl 2-[[4-(trifluoromethoxy)phenyl]amino]-1,3-thiazole-4-carboxylate
| Molecular Formula | C13H11F3N2O3S |
|---|---|
| Molecular Weight | 332.04 g/mol |
| LogP | 3.962 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.04425 |
| Heavy Atoms | 22 |
| Complexity | 640.72504 |
Chemical Identifiers
| CAS Number | 497083-35-9 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)NC2=CC=C(C=C2)OC(F)(F)F |
Product Overview
Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate (CAS 497083-35-9), with molecular formula C13H11F3N2O3S and molecular weight 332.04 g/mol. IUPAC: ethyl 2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate
Property Insights of Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate
The XLogP value of 3.962 indicates that Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate has 1 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 Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate?
The CAS number of Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate is 497083-35-9.
What is the molecular formula of Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate?
The molecular formula of Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate is C13H11F3N2O3S.
What is the molecular weight of Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate?
The molecular weight of Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate is 332.04 g/mol.
Where can I buy Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate?
You can request a quote for Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((4-(trifluoromethoxy)phenyl)amino)-3,5-thiazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.