ethyl acetoacetate, sodium salt
TL;DR: ethyl acetoacetate, sodium salt (CAS 15933-07-0) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxobutanoate
Also Known As: ethyl 2-oxobutanoate, ethyl 2-oxobutyrate, ethyl 2-ketobutyrate, Ethyl a-oxobutyrate, Ethyl2-oxobutanoate
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 15933-07-0 |
|---|---|
| SMILES | CCC(=O)C(=O)OCC |
| InChIKey | FJAKCEHATXBFJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl acetoacetate, sodium salt (CAS 15933-07-0), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: ethyl 2-oxobutanoate.
Chemical Property Profile of ethyl acetoacetate, sodium salt
Property Insights of ethyl acetoacetate, sodium salt
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl acetoacetate, sodium salt. With a topological polar surface area (TPSA) of 43.4 Ų, ethyl acetoacetate, sodium salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl acetoacetate, sodium salt 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 acetoacetate, sodium salt?
The CAS number of ethyl acetoacetate, sodium salt is 15933-07-0.
What is the molecular formula of ethyl acetoacetate, sodium salt?
The molecular formula of ethyl acetoacetate, sodium salt is C6H10O3.
What is the molecular weight of ethyl acetoacetate, sodium salt?
The molecular weight of ethyl acetoacetate, sodium salt is 130.06 g/mol.
Where can I buy ethyl acetoacetate, sodium salt?
You can request a quote for ethyl acetoacetate, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl acetoacetate, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for ethyl acetoacetate, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.