Allyl levulinate
TL;DR: Allyl levulinate (CAS 1070-35-5) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-oxopentanoate
Also Known As: Allyl levulinate, Allyllevulinate, Allyl 4-oxopentanoate, prop-2-enyl 4-oxopentanoate, Allyl-4-oxopentanoat
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 1070-35-5 |
|---|---|
| SMILES | CC(=O)CCC(=O)OCC=C |
| InChIKey | NETFSRNRGBJVMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl levulinate (CAS 1070-35-5), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: prop-2-enyl 4-oxopentanoate.
Chemical Property Profile of Allyl levulinate
Property Insights of Allyl levulinate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl levulinate. With a topological polar surface area (TPSA) of 43.4 Ų, Allyl levulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 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 Allyl levulinate?
The CAS number of Allyl levulinate is 1070-35-5.
What is the molecular formula of Allyl levulinate?
The molecular formula of Allyl levulinate is C8H12O3.
What is the molecular weight of Allyl levulinate?
The molecular weight of Allyl levulinate is 156.08 g/mol.
Where can I buy Allyl levulinate?
You can request a quote for Allyl levulinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl levulinate?
Yes, KEHONG BIO provides custom synthesis services for Allyl levulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.