Ethyl 2-acetyl-4-oxovalerate
TL;DR: Ethyl 2-acetyl-4-oxovalerate (CAS 41892-81-3) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-4-oxopentanoate
Also Known As: Ethyl 2-acetyl-4-oxopentanoate, Ethyl 2-acetyl-4-oxovalerate, EINECS 255-582-0, ethyl 2-acetyl-4-oxo-pentanoate, Ethyl2-acetyl-4-oxopentanoate
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 0.7338 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 219.65459 |
Chemical Identifiers
| CAS Number | 41892-81-3 |
|---|---|
| SMILES | CCOC(=O)C(CC(=O)C)C(=O)C |
Product Overview
Ethyl 2-acetyl-4-oxovalerate (CAS 41892-81-3), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: ethyl 2-acetyl-4-oxopentanoate.
Chemical Property Profile of Ethyl 2-acetyl-4-oxovalerate
Property Insights of Ethyl 2-acetyl-4-oxovalerate
The XLogP value of 0.7338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetyl-4-oxovalerate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetyl-4-oxovalerate. Following Lipinski's Rule of Five, Ethyl 2-acetyl-4-oxovalerate has 0 hydrogen bond donor(s) and 4 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-acetyl-4-oxovalerate?
The CAS number of Ethyl 2-acetyl-4-oxovalerate is 41892-81-3.
What is the molecular formula of Ethyl 2-acetyl-4-oxovalerate?
The molecular formula of Ethyl 2-acetyl-4-oxovalerate is C9H14O4.
What is the molecular weight of Ethyl 2-acetyl-4-oxovalerate?
The molecular weight of Ethyl 2-acetyl-4-oxovalerate is 186.09 g/mol.
Where can I buy Ethyl 2-acetyl-4-oxovalerate?
You can request a quote for Ethyl 2-acetyl-4-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-acetyl-4-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-4-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.