Ethyl 9-decenoate
TL;DR: Ethyl 9-decenoate (CAS 67233-91-4) 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-9-enoate
Also Known As: Ethyl 9-decenoate, Ethyl dec-9-enoate, 9-Decenoic acid, ethyl ester, 9-Decenoicacid,ethylester, 9-DECENOIC ACID ETHYL ESTER
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 67233-91-4 |
|---|---|
| SMILES | CCOC(=O)CCCCCCCC=C |
| InChIKey | BKOJTZORTHALGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 9-decenoate (CAS 67233-91-4), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: ethyl dec-9-enoate.
Chemical Property Profile of Ethyl 9-decenoate
Property Insights of Ethyl 9-decenoate
The XLogP value of 4.0 indicates that Ethyl 9-decenoate 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 9-decenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 9-decenoate 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 9-decenoate?
The CAS number of Ethyl 9-decenoate is 67233-91-4.
What is the molecular formula of Ethyl 9-decenoate?
The molecular formula of Ethyl 9-decenoate is C12H22O2.
What is the molecular weight of Ethyl 9-decenoate?
The molecular weight of Ethyl 9-decenoate is 198.16 g/mol.
Where can I buy Ethyl 9-decenoate?
You can request a quote for Ethyl 9-decenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 9-decenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 9-decenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.