Ethyl dec-4-enoate
TL;DR: Ethyl dec-4-enoate (CAS 76649-16-6) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl dec-4-enoate
Also Known As: ethyl dec-4-enoate, Ethyl trans-4-decenoate, ethyl 4-decenoate, Decasilate, Ethyl4-Decenoate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 76649-16-6 |
|---|---|
| SMILES | CCCCCC=CCCC(=O)OCC |
| InChIKey | AWNIQMQADACLCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl dec-4-enoate (CAS 76649-16-6), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: ethyl dec-4-enoate.
Chemical Property Profile of Ethyl dec-4-enoate
Property Insights of Ethyl dec-4-enoate
The XLogP value of 3.8 indicates that Ethyl dec-4-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl dec-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl dec-4-enoate 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 Ethyl dec-4-enoate?
The CAS number of Ethyl dec-4-enoate is 76649-16-6.
What is the molecular formula of Ethyl dec-4-enoate?
The molecular formula of Ethyl dec-4-enoate is C12H22O2.
What is the molecular weight of Ethyl dec-4-enoate?
The molecular weight of Ethyl dec-4-enoate is 198.16 g/mol.
Where can I buy Ethyl dec-4-enoate?
You can request a quote for Ethyl dec-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl dec-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl dec-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.