Allyl stearate
TL;DR: Allyl stearate (CAS 6289-31-2) is a chemical compound with molecular formula C21H40O2 and molecular weight 324.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl octadecanoate
Also Known As: Allyl stearate, Allylstearate, Octadecanoic, Stearic acid, allyl ester, prop-2-enyl octadecanoate
| Molecular Formula | C21H40O2 |
|---|---|
| Molecular Weight | 324.30 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 324.30283 |
| Heavy Atoms | 23 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 6289-31-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC=C |
| InChIKey | HPCIWDZYMSZAEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl stearate (CAS 6289-31-2), with molecular formula C21H40O2 and molecular weight 324.30 g/mol. IUPAC: prop-2-enyl octadecanoate.
Chemical Property Profile of Allyl stearate
Property Insights of Allyl stearate
The XLogP value of 9.2 indicates that Allyl stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl stearate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Allyl stearate?
The CAS number of Allyl stearate is 6289-31-2.
What is the molecular formula of Allyl stearate?
The molecular formula of Allyl stearate is C21H40O2.
What is the molecular weight of Allyl stearate?
The molecular weight of Allyl stearate is 324.30 g/mol.
Where can I buy Allyl stearate?
You can request a quote for Allyl stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl stearate?
Yes, KEHONG BIO provides custom synthesis services for Allyl stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.