Allyl 2-ethylhexanoate
TL;DR: Allyl 2-ethylhexanoate (CAS 58105-49-0) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-ethylhexanoate
Also Known As: Allyl 2-ethylhexanoate, allyl2-ethylhexanoate, prop-2-enyl 2-ethylhexanoate, 2-Ethylhexanoic acid 2-propenyl ester, PROP-2-EN-1-YL 2-ETHYLHEXANOATE
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 58105-49-0 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OCC=C |
| InChIKey | ZEDLAAYLXASWJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl 2-ethylhexanoate (CAS 58105-49-0), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: prop-2-enyl 2-ethylhexanoate.
Chemical Property Profile of Allyl 2-ethylhexanoate
Property Insights of Allyl 2-ethylhexanoate
The XLogP value of 3.6 indicates that Allyl 2-ethylhexanoate 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 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 2-ethylhexanoate 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 2-ethylhexanoate?
The CAS number of Allyl 2-ethylhexanoate is 58105-49-0.
What is the molecular formula of Allyl 2-ethylhexanoate?
The molecular formula of Allyl 2-ethylhexanoate is C11H20O2.
What is the molecular weight of Allyl 2-ethylhexanoate?
The molecular weight of Allyl 2-ethylhexanoate is 184.15 g/mol.
Where can I buy Allyl 2-ethylhexanoate?
You can request a quote for Allyl 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.