Ethyl isobutyrylacetate
TL;DR: Ethyl isobutyrylacetate (CAS 7152-15-0) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-3-oxopentanoate
Also Known As: Ethyl isobutyrylacetate, Ethyl 4-methyl-3-oxopentanoate, dextromethorphan, Ethyl isobutyroylacetate, Ethylisobutyrylacetate
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 7152-15-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C(C)C |
| InChIKey | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl isobutyrylacetate (CAS 7152-15-0), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: ethyl 4-methyl-3-oxopentanoate.
Chemical Property Profile of Ethyl isobutyrylacetate
Property Insights of Ethyl isobutyrylacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isobutyrylacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl isobutyrylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isobutyrylacetate 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 isobutyrylacetate?
The CAS number of Ethyl isobutyrylacetate is 7152-15-0.
What is the molecular formula of Ethyl isobutyrylacetate?
The molecular formula of Ethyl isobutyrylacetate is C8H14O3.
What is the molecular weight of Ethyl isobutyrylacetate?
The molecular weight of Ethyl isobutyrylacetate is 158.09 g/mol.
Where can I buy Ethyl isobutyrylacetate?
You can request a quote for Ethyl isobutyrylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl isobutyrylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl isobutyrylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.