Allyl decanoate
TL;DR: Allyl decanoate (CAS 57856-81-2) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl decanoate
Also Known As: Allyl decanoate, Allyl caprate, prop-2-enyl decanoate, Allylcaprinat, Allyl n-decanoate
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 57856-81-2 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCC=C |
| InChIKey | DQVOTEHORLHPRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl decanoate (CAS 57856-81-2), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: prop-2-enyl decanoate.
Chemical Property Profile of Allyl decanoate
Property Insights of Allyl decanoate
The XLogP value of 4.8 indicates that Allyl decanoate 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 decanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl decanoate 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 decanoate?
The CAS number of Allyl decanoate is 57856-81-2.
What is the molecular formula of Allyl decanoate?
The molecular formula of Allyl decanoate is C13H24O2.
What is the molecular weight of Allyl decanoate?
The molecular weight of Allyl decanoate is 212.18 g/mol.
Where can I buy Allyl decanoate?
You can request a quote for Allyl decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl decanoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.