Ethyl 3-oxovalerate
TL;DR: Ethyl 3-oxovalerate (CAS 4949-44-4) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxopentanoate
Also Known As: Ethyl propionylacetate, Ethyl 3-oxopentanoate, Ethyl 3-oxovalerate, Ethyl Propanoylacetate, ETHYLPropionylacetate
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 4949-44-4 |
|---|---|
| SMILES | CCC(=O)CC(=O)OCC |
| InChIKey | UDRCONFHWYGWFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-oxovalerate (CAS 4949-44-4), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: ethyl 3-oxopentanoate.
Chemical Property Profile of Ethyl 3-oxovalerate
Property Insights of Ethyl 3-oxovalerate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxovalerate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3-oxovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxovalerate 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 3-oxovalerate?
The CAS number of Ethyl 3-oxovalerate is 4949-44-4.
What is the molecular formula of Ethyl 3-oxovalerate?
The molecular formula of Ethyl 3-oxovalerate is C7H12O3.
What is the molecular weight of Ethyl 3-oxovalerate?
The molecular weight of Ethyl 3-oxovalerate is 144.08 g/mol.
Where can I buy Ethyl 3-oxovalerate?
You can request a quote for Ethyl 3-oxovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.