Ethyl pivaloylacetate
TL;DR: Ethyl pivaloylacetate (CAS 17094-34-7) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4-dimethyl-3-oxopentanoate
Also Known As: Ethyl pivaloylacetate, Ethyl 4,4-dimethyl-3-oxopentanoate, ethyl pivaloyl acetate, Ethyl 4,4-dimethyl-3-oxovalerate, Ethylpivaloylacetate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 17094-34-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C(C)(C)C |
| InChIKey | VUYNTIDSHCJIKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl pivaloylacetate (CAS 17094-34-7), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: ethyl 4,4-dimethyl-3-oxopentanoate.
Chemical Property Profile of Ethyl pivaloylacetate
Property Insights of Ethyl pivaloylacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl pivaloylacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl pivaloylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl pivaloylacetate 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 pivaloylacetate?
The CAS number of Ethyl pivaloylacetate is 17094-34-7.
What is the molecular formula of Ethyl pivaloylacetate?
The molecular formula of Ethyl pivaloylacetate is C9H16O3.
What is the molecular weight of Ethyl pivaloylacetate?
The molecular weight of Ethyl pivaloylacetate is 172.11 g/mol.
Where can I buy Ethyl pivaloylacetate?
You can request a quote for Ethyl pivaloylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl pivaloylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl pivaloylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.