Isopropyl levulinate
TL;DR: Isopropyl levulinate (CAS 21884-26-4) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-oxopentanoate
Also Known As: Isopropyl 4-oxopentanoate, Isopropyl 4-oxovalerate, isopropyl levulinate, propan-2-yl 4-oxopentanoate, 2-Propyl Levulinate
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 21884-26-4 |
|---|---|
| SMILES | CC(C)OC(=O)CCC(=O)C |
| InChIKey | MGJRGGIHFUREHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl levulinate (CAS 21884-26-4), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: propan-2-yl 4-oxopentanoate.
Chemical Property Profile of Isopropyl levulinate
Property Insights of Isopropyl levulinate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl levulinate. With a topological polar surface area (TPSA) of 43.4 Ų, Isopropyl levulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl levulinate?
The CAS number of Isopropyl levulinate is 21884-26-4.
What is the molecular formula of Isopropyl levulinate?
The molecular formula of Isopropyl levulinate is C8H14O3.
What is the molecular weight of Isopropyl levulinate?
The molecular weight of Isopropyl levulinate is 158.09 g/mol.
Where can I buy Isopropyl levulinate?
You can request a quote for Isopropyl levulinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl levulinate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl levulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.