Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
TL;DR: Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (CAS 167279-18-7) is a chemical compound with molecular formula C14H11F3O2S and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
Also Known As: ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, ethyl (4-phenyl-5-trifluoromethyl)thiophene-2-carboxylate, 2-Thiophenecarboxylicacid, 4-phenyl-5-(trifluoromethyl)-, ethyl ester, 4-phenyl-5-trifluoromethyl-thiophene-2-carboxylic acid ethyl ester
| Molecular Formula | C14H11F3O2S |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 4.6106 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.04318 |
| Heavy Atoms | 20 |
| Complexity | 602.6267 |
Chemical Identifiers
| CAS Number | 167279-18-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=CC=C2 |
Product Overview
Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (CAS 167279-18-7), with molecular formula C14H11F3O2S and molecular weight 300.04 g/mol. IUPAC: ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
Property Insights of Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
The XLogP value of 4.6106 indicates that Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 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-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The CAS number of Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is 167279-18-7.
What is the molecular formula of Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The molecular formula of Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is C14H11F3O2S.
What is the molecular weight of Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The molecular weight of Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is 300.04 g/mol.
Where can I buy Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
You can request a quote for Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.