Ethyl levulinate
TL;DR: Ethyl levulinate (CAS 539-88-8) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxopentanoate
Also Known As: ETHYL LEVULINATE, Ethyl 4-oxopentanoate, Ethyl levulate, Ethyl laevulinate, Ethyl 4-ketovalerate
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
| Melting Point | < 25 °C |
| Boiling Point | 93.00 to 94.00 °C. @ 18.00 mm Hg |
| Density | 1.009-1.014 |
| Solubility | soluble in water and alcohol |
| Refractive Index | 1.420-1.425 |
Chemical Identifiers
| CAS Number | 539-88-8 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C |
| InChIKey | GMEONFUTDYJSNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl levulinate (CAS 539-88-8), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: ethyl 4-oxopentanoate.
Chemical Property Profile of Ethyl levulinate
Property Insights of Ethyl levulinate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl levulinate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl levulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl levulinate 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 levulinate?
The CAS number of Ethyl levulinate is 539-88-8.
What is the molecular formula of Ethyl levulinate?
The molecular formula of Ethyl levulinate is C7H12O3.
What is the molecular weight of Ethyl levulinate?
The molecular weight of Ethyl levulinate is 144.08 g/mol.
Where can I buy Ethyl levulinate?
You can request a quote for Ethyl levulinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl levulinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl levulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.