Ethyl 2-acetyl-5-methylhexanoate
TL;DR: Ethyl 2-acetyl-5-methylhexanoate (CAS 84389-67-3) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-5-methylhexanoate
Also Known As: ethyl 2-acetyl-5-methylhexanoate, ETHYL ISOAMYLACETOACETATE, 2-Acetyl-5-methylhexanoic acid ethyl ester, ethyl2-acetyl-5-methylhexanoate, ethyl 2-acetyl-5-methyl-hexanoate
| Molecular Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.14125 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 84389-67-3 |
|---|---|
| SMILES | CCOC(=O)C(CCC(C)C)C(=O)C |
| InChIKey | PISGMHLBJJGKRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-acetyl-5-methylhexanoate (CAS 84389-67-3), with molecular formula C11H20O3 and molecular weight 200.14 g/mol. IUPAC: ethyl 2-acetyl-5-methylhexanoate.
Chemical Property Profile of Ethyl 2-acetyl-5-methylhexanoate
Property Insights of Ethyl 2-acetyl-5-methylhexanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetyl-5-methylhexanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-acetyl-5-methylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-acetyl-5-methylhexanoate 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-acetyl-5-methylhexanoate?
The CAS number of Ethyl 2-acetyl-5-methylhexanoate is 84389-67-3.
What is the molecular formula of Ethyl 2-acetyl-5-methylhexanoate?
The molecular formula of Ethyl 2-acetyl-5-methylhexanoate is C11H20O3.
What is the molecular weight of Ethyl 2-acetyl-5-methylhexanoate?
The molecular weight of Ethyl 2-acetyl-5-methylhexanoate is 200.14 g/mol.
Where can I buy Ethyl 2-acetyl-5-methylhexanoate?
You can request a quote for Ethyl 2-acetyl-5-methylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetyl-5-methylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-5-methylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.