Ethyl 4-oxo-2-(2-oxoethyl)butanoate
TL;DR: Ethyl 4-oxo-2-(2-oxoethyl)butanoate (CAS 115973-49-4) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-2-(2-oxoethyl)butanoate
Also Known As: ethyl 4-oxo-2-(2-oxoethyl)butanoate, 3-ethoxycarbonylglutaric dialdehyde, beta-ethoxycarbonylglutaraldehyde, ethyl4-oxo-2-(2-oxoethyl)butanoate, 4-oxo-2-(2-oxo-ethyl)-butyric acid ethyl ester
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.3437 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 154.4408 |
Chemical Identifiers
| CAS Number | 115973-49-4 |
|---|---|
| SMILES | CCOC(=O)C(CC=O)CC=O |
Product Overview
Ethyl 4-oxo-2-(2-oxoethyl)butanoate (CAS 115973-49-4), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: ethyl 4-oxo-2-(2-oxoethyl)butanoate.
Chemical Property Profile of Ethyl 4-oxo-2-(2-oxoethyl)butanoate
Property Insights of Ethyl 4-oxo-2-(2-oxoethyl)butanoate
The XLogP value of 0.3437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-oxo-2-(2-oxoethyl)butanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-oxo-2-(2-oxoethyl)butanoate. Following Lipinski's Rule of Five, Ethyl 4-oxo-2-(2-oxoethyl)butanoate 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 4-oxo-2-(2-oxoethyl)butanoate?
The CAS number of Ethyl 4-oxo-2-(2-oxoethyl)butanoate is 115973-49-4.
What is the molecular formula of Ethyl 4-oxo-2-(2-oxoethyl)butanoate?
The molecular formula of Ethyl 4-oxo-2-(2-oxoethyl)butanoate is C8H12O4.
What is the molecular weight of Ethyl 4-oxo-2-(2-oxoethyl)butanoate?
The molecular weight of Ethyl 4-oxo-2-(2-oxoethyl)butanoate is 172.07 g/mol.
Where can I buy Ethyl 4-oxo-2-(2-oxoethyl)butanoate?
You can request a quote for Ethyl 4-oxo-2-(2-oxoethyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-oxo-2-(2-oxoethyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-2-(2-oxoethyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.