Benzyl levulinate
TL;DR: Benzyl levulinate (CAS 6939-75-9) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-oxopentanoate
Also Known As: Benzyl levulinate, benzyl 4-oxopentanoate, Benzyl 4-oxovalerate, BENZYL LAEVULINATE, levulinate benzyl ester
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
| Density | 1.095-1.101 (20°) |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.503-1.509 |
Chemical Identifiers
| CAS Number | 6939-75-9 |
|---|---|
| SMILES | CC(=O)CCC(=O)OCC1=CC=CC=C1 |
| InChIKey | KWQUVANYFZOCEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl levulinate (CAS 6939-75-9), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: benzyl 4-oxopentanoate.
Chemical Property Profile of Benzyl levulinate
Property Insights of Benzyl levulinate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl levulinate. With a topological polar surface area (TPSA) of 43.4 Ų, Benzyl levulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl levulinate?
The CAS number of Benzyl levulinate is 6939-75-9.
What is the molecular formula of Benzyl levulinate?
The molecular formula of Benzyl levulinate is C12H14O3.
What is the molecular weight of Benzyl levulinate?
The molecular weight of Benzyl levulinate is 206.09 g/mol.
Where can I buy Benzyl levulinate?
You can request a quote for Benzyl levulinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl levulinate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl levulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.