Ethyl 2-oxovalerate
TL;DR: Ethyl 2-oxovalerate (CAS 52094-42-5) is a chemical compound with molecular formula CCCC(=O)C(=O)OCC and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxopentanoate
Also Known As: Ethyl 2-oxovalerate, ethyl 2-oxopentanoate, Ethyl2-oxovalerate, Ethyl 2-oxo-pentanoate, Ethyl ketovalerate
| Molecular Formula | CCCC(=O)C(=O)OCC |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 1.2 |
| 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 | 52094-42-5 |
|---|---|
| SMILES | CCCC(=O)C(=O)OCC |
| InChIKey | YERWBBMSDMSDKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-oxovalerate (CAS 52094-42-5), with molecular formula CCCC(=O)C(=O)OCC and molecular weight 144.08 g/mol. IUPAC: ethyl 2-oxopentanoate.
Chemical Property Profile of Ethyl 2-oxovalerate
Property Insights of Ethyl 2-oxovalerate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-oxovalerate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-oxovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-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 2-oxovalerate?
The CAS number of Ethyl 2-oxovalerate is 52094-42-5.
What is the molecular formula of Ethyl 2-oxovalerate?
The molecular formula of Ethyl 2-oxovalerate is CCCC(=O)C(=O)OCC.
What is the molecular weight of Ethyl 2-oxovalerate?
The molecular weight of Ethyl 2-oxovalerate is 144.08 g/mol.
Where can I buy Ethyl 2-oxovalerate?
You can request a quote for Ethyl 2-oxovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.