Ethyl 2-furanpropionate
TL;DR: Ethyl 2-furanpropionate (CAS 10031-90-0) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(furan-2-yl)propanoate
Also Known As: Ethyl 2-furanpropionate, Ethyl 3-(2-furyl)propionate, ethyl 3-(furan-2-yl)propanoate, Ethyl furfhydracrylate, 2-Furanpropanoic acid, ethyl ester
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| Melting Point | 24.5 °C |
| Boiling Point | 260.00 °C. @ 760.00 mm Hg |
| Density | 1.051-1.058 |
| Solubility | very slightly |
| Refractive Index | 1.455-1.462 |
Chemical Identifiers
| CAS Number | 10031-90-0 |
|---|---|
| SMILES | CCOC(=O)CCC1=CC=CO1 |
| InChIKey | OWIWZQQFSTZZIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-furanpropionate (CAS 10031-90-0), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: ethyl 3-(furan-2-yl)propanoate.
Chemical Property Profile of Ethyl 2-furanpropionate
Property Insights of Ethyl 2-furanpropionate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-furanpropionate. With a topological polar surface area (TPSA) of 39.4 Ų, Ethyl 2-furanpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-furanpropionate 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 2-furanpropionate?
The CAS number of Ethyl 2-furanpropionate is 10031-90-0.
What is the molecular formula of Ethyl 2-furanpropionate?
The molecular formula of Ethyl 2-furanpropionate is C9H12O3.
What is the molecular weight of Ethyl 2-furanpropionate?
The molecular weight of Ethyl 2-furanpropionate is 168.08 g/mol.
Where can I buy Ethyl 2-furanpropionate?
You can request a quote for Ethyl 2-furanpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-furanpropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-furanpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.