Allyl propionate
TL;DR: Allyl propionate (CAS 2408-20-0) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl propanoate
Also Known As: ALLYL PROPIONATE, Allyl propanoate, 2-Propenyl propanoate, Allyl n-propionate, Propionic acid, allyl ester
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
| Boiling Point | 124.00 to 125.00 °C. @ 760.00 mm Hg |
| Density | 0.914 (20°) |
| Refractive Index | 1.4105 |
Chemical Identifiers
| CAS Number | 2408-20-0 |
|---|---|
| SMILES | CCC(=O)OCC=C |
| InChIKey | XRFWKHVQMACVTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl propionate (CAS 2408-20-0), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: prop-2-enyl propanoate.
Chemical Property Profile of Allyl propionate
Property Insights of Allyl propionate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl propionate has 0 hydrogen bond donor(s) and 2 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 propionate?
The CAS number of Allyl propionate is 2408-20-0.
What is the molecular formula of Allyl propionate?
The molecular formula of Allyl propionate is C6H10O2.
What is the molecular weight of Allyl propionate?
The molecular weight of Allyl propionate is 114.07 g/mol.
Where can I buy Allyl propionate?
You can request a quote for Allyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl propionate?
Yes, KEHONG BIO provides custom synthesis services for Allyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.