3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester
TL;DR: 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester (CAS 17515-79-6) is a chemical compound with molecular formula C9H7F3O4 and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-formyl-2-(trifluoromethyl)furan-3-carboxylate
Also Known As: ethyl 5-formyl-2-(trifluoromethyl)furan-3-carboxylate, 3-Furoic acid, 5-formyl-2-trifluoromethyl, ethyl ester, 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester, 3-Furoic acid,5-formyl-2-trifluoromethyl,ethyl ester, RefChem:279625
| Molecular Formula | C9H7F3O4 |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.02965 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 17515-79-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C1)C=O)C(F)(F)F |
| InChIKey | GGAGOWASDNUXJD-UHFFFAOYSA-N |
Product Overview
3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester (CAS 17515-79-6), with molecular formula C9H7F3O4 and molecular weight 236.03 g/mol. IUPAC: ethyl 5-formyl-2-(trifluoromethyl)furan-3-carboxylate.
Chemical Property Profile of 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester
Property Insights of 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester. With a topological polar surface area (TPSA) of 56.5 Ų, 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester has 0 hydrogen bond donor(s) and 7 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 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester?
The CAS number of 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester is 17515-79-6.
What is the molecular formula of 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester?
The molecular formula of 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester is C9H7F3O4.
What is the molecular weight of 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester?
The molecular weight of 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester is 236.03 g/mol.
Where can I buy 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester?
You can request a quote for 3-Furoic acid, 5-formyl-2-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 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Furoic acid, 5-formyl-2-trifluoromethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.