Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate
TL;DR: Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate (CAS 17515-73-0) is a chemical compound with molecular formula C9H9F3O3 and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate
Also Known As: Ethyl 5-methyl-2-(trifluoromethyl)-3-furoate, ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate, 9103AA, ethyl 2-trifluoromethyl-5-methyl-3-furoate, 3-Furancarboxylic acid, 5-methyl-2-(trifluoromethyl)-, ethyl ester
| Molecular Formula | C9H9F3O3 |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.78352 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.05038 |
| Heavy Atoms | 15 |
| Complexity | 365.16974 |
Chemical Identifiers
| CAS Number | 17515-73-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C1)C)C(F)(F)F |
Product Overview
Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate (CAS 17515-73-0), with molecular formula C9H9F3O3 and molecular weight 222.05 g/mol. IUPAC: ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate.
Chemical Property Profile of Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate
Property Insights of Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate
The XLogP value of 2.78352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate. With a topological polar surface area (TPSA) of 39.44 Ų, Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-methyl-2-(trifluoromethyl)furan-3-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 5-methyl-2-(trifluoromethyl)furan-3-carboxylate?
The CAS number of Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate is 17515-73-0.
What is the molecular formula of Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate?
The molecular formula of Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate is C9H9F3O3.
What is the molecular weight of Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate?
The molecular weight of Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate is 222.05 g/mol.
Where can I buy Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate?
You can request a quote for Ethyl 5-methyl-2-(trifluoromethyl)furan-3-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-methyl-2-(trifluoromethyl)furan-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.