Ethyl 2-acetylhexanoate
TL;DR: Ethyl 2-acetylhexanoate (CAS 1540-29-0) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetylhexanoate
Also Known As: Ethyl 2-acetylhexanoate, Ethyl 2-butylacetoacetate, Ethylbutylamine, Ethyl 2-n-butylacetoacetate, Hexanoic acid, 2-acetyl-, ethyl ester
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
| Density | 0.949-0.959 (20°) |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.425-1.435 |
Chemical Identifiers
| CAS Number | 1540-29-0 |
|---|---|
| SMILES | CCCCC(C(=O)C)C(=O)OCC |
| InChIKey | ZTOQBHVLCJERBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-acetylhexanoate (CAS 1540-29-0), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: ethyl 2-acetylhexanoate.
Chemical Property Profile of Ethyl 2-acetylhexanoate
Property Insights of Ethyl 2-acetylhexanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetylhexanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-acetylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-acetylhexanoate 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-acetylhexanoate?
The CAS number of Ethyl 2-acetylhexanoate is 1540-29-0.
What is the molecular formula of Ethyl 2-acetylhexanoate?
The molecular formula of Ethyl 2-acetylhexanoate is C10H18O3.
What is the molecular weight of Ethyl 2-acetylhexanoate?
The molecular weight of Ethyl 2-acetylhexanoate is 186.13 g/mol.
Where can I buy Ethyl 2-acetylhexanoate?
You can request a quote for Ethyl 2-acetylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.