Ethyl 2-phenyl-3-furoate
TL;DR: Ethyl 2-phenyl-3-furoate (CAS 50626-02-3) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-phenylfuran-3-carboxylate
Also Known As: 2-Phenyl-3-carbethoxyfuran, Ethyl 2-phenyl-3-furoate, ethyl 2-phenylfuran-3-carboxylate, Ethyl 2-phenyl-3-furancarboxylate, FEMA No. 3468
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12O3 |
| Molecular Weight | 216.07864 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.07864 Da |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
| Boiling Point | 331.00 to 332.00 °C. @ 760.00 mm Hg |
| Density | 1.120-1.132 |
| Refractive Index | 1.515-1.527 |
| Solubility | insoluble in water; soluble in oils |
| SMILES | CCOC(=O)C1=C(OC=C1)C2=CC=CC=C2 |
| InChIKey | VMAQXZDICAYJMS-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-phenyl-3-furoate
Property Insights of Ethyl 2-phenyl-3-furoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-phenyl-3-furoate. With a topological polar surface area (TPSA) of 39.4 Ų, Ethyl 2-phenyl-3-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-phenyl-3-furoate 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
What is the CAS number of Ethyl 2-phenyl-3-furoate?
The CAS number of Ethyl 2-phenyl-3-furoate is 50626-02-3.
What is the molecular formula of Ethyl 2-phenyl-3-furoate?
The molecular formula of Ethyl 2-phenyl-3-furoate is C13H12O3.
What is the molecular weight of Ethyl 2-phenyl-3-furoate?
The molecular weight of Ethyl 2-phenyl-3-furoate is 216.07864 g/mol.
Where can I buy Ethyl 2-phenyl-3-furoate?
You can request a quote for Ethyl 2-phenyl-3-furoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-phenyl-3-furoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-phenyl-3-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.