Methyl levulinate
TL;DR: Methyl levulinate (CAS 624-45-3) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxopentanoate
Also Known As: Methyl levulinate, Methyl 4-oxopentanoate, methyllevulinate, Methyl levulate, Levulinic Acid Methyl Ester
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 117.0 |
| Boiling Point | 196.00 °C. @ 760.00 mm Hg |
| Density | 1.049-1.055 (20°) |
| Solubility | Sparingly soluble in water |
| Refractive Index | 1.419-1.425 |
Chemical Identifiers
| CAS Number | 624-45-3 |
|---|---|
| SMILES | CC(=O)CCC(=O)OC |
| InChIKey | UAGJVSRUFNSIHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl levulinate (CAS 624-45-3), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: methyl 4-oxopentanoate.
Chemical Property Profile of Methyl levulinate
Property Insights of Methyl levulinate
The XLogP value of -0.1 indicates that Methyl levulinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl levulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl levulinate?
The CAS number of Methyl levulinate is 624-45-3.
What is the molecular formula of Methyl levulinate?
The molecular formula of Methyl levulinate is C6H10O3.
What is the molecular weight of Methyl levulinate?
The molecular weight of Methyl levulinate is 130.06 g/mol.
Where can I buy Methyl levulinate?
You can request a quote for Methyl levulinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl levulinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl levulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.