Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate
TL;DR: Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate (CAS 55942-41-1) is a chemical compound with molecular formula C7H7F3N2O2 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate
Also Known As: Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate, ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate, ethyltrifluoromethylimidazolecarboxylate, 5-Imidazolicacid, 4-trifluoromethyl-, ethyl ester, 4-TRIFLUOROMETHYL-5-CARBETHOXYIMIDAZOLE
| Molecular Formula | C7H7F3N2O2 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.04596 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 55942-41-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC=N1)C(F)(F)F |
| InChIKey | GKUCPVKNHSQTEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate (CAS 55942-41-1), with molecular formula C7H7F3N2O2 and molecular weight 208.05 g/mol. IUPAC: ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate
Property Insights of Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate 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 5-(trifluoromethyl)-1H-imidazole-4-carboxylate?
The CAS number of Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate is 55942-41-1.
What is the molecular formula of Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate?
The molecular formula of Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate is C7H7F3N2O2.
What is the molecular weight of Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate?
The molecular weight of Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate is 208.05 g/mol.
Where can I buy Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate?
You can request a quote for Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.