Ethyl 2-acetylnonanoate
TL;DR: Ethyl 2-acetylnonanoate (CAS 40778-30-1) is a chemical compound with molecular formula C13H24O3 and molecular weight 228.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetylnonanoate
Also Known As: Ethyl 2-acetylnonanoate, Ethyl 2-heptylacetoacetate, Ethyl2-heptylacetoacetate, Ethyl 2-acetylnonan-1-oate, Ethyl 2-acetylnonanoate #
| Molecular Formula | C13H24O3 |
|---|---|
| Molecular Weight | 228.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 228.17255 |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 40778-30-1 |
|---|---|
| SMILES | CCCCCCCC(C(=O)C)C(=O)OCC |
| InChIKey | QPFZUKLNMHJNCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-acetylnonanoate (CAS 40778-30-1), with molecular formula C13H24O3 and molecular weight 228.17 g/mol. IUPAC: ethyl 2-acetylnonanoate.
Chemical Property Profile of Ethyl 2-acetylnonanoate
Property Insights of Ethyl 2-acetylnonanoate
The XLogP value of 4.0 indicates that Ethyl 2-acetylnonanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-acetylnonanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-acetylnonanoate has 0 hydrogen bond donor(s) and 3 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-acetylnonanoate?
The CAS number of Ethyl 2-acetylnonanoate is 40778-30-1.
What is the molecular formula of Ethyl 2-acetylnonanoate?
The molecular formula of Ethyl 2-acetylnonanoate is C13H24O3.
What is the molecular weight of Ethyl 2-acetylnonanoate?
The molecular weight of Ethyl 2-acetylnonanoate is 228.17 g/mol.
Where can I buy Ethyl 2-acetylnonanoate?
You can request a quote for Ethyl 2-acetylnonanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetylnonanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetylnonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.