Ethyl 2-ethylideneheptanoate
TL;DR: Ethyl 2-ethylideneheptanoate (CAS 1729-69-7) 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.
ethyl 2-ethylideneheptanoate
Also Known As: ethyl 2-ethylideneheptanoate, Heptanoic acid, 2-ethylidene-, ethyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 1729-69-7 |
|---|---|
| SMILES | CCCCCC(=CC)C(=O)OCC |
| InChIKey | BREQRENYWPNYRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-ethylideneheptanoate (CAS 1729-69-7), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: ethyl 2-ethylideneheptanoate.
Chemical Property Profile of Ethyl 2-ethylideneheptanoate
Property Insights of Ethyl 2-ethylideneheptanoate
The XLogP value of 3.7 indicates that Ethyl 2-ethylideneheptanoate 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 2-ethylideneheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-ethylideneheptanoate 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 2-ethylideneheptanoate?
The CAS number of Ethyl 2-ethylideneheptanoate is 1729-69-7.
What is the molecular formula of Ethyl 2-ethylideneheptanoate?
The molecular formula of Ethyl 2-ethylideneheptanoate is C11H20O2.
What is the molecular weight of Ethyl 2-ethylideneheptanoate?
The molecular weight of Ethyl 2-ethylideneheptanoate is 184.15 g/mol.
Where can I buy Ethyl 2-ethylideneheptanoate?
You can request a quote for Ethyl 2-ethylideneheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-ethylideneheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethylideneheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.