Diethyl oxalacetate
TL;DR: Diethyl oxalacetate (CAS 108-56-5) is a chemical compound with molecular formula C8H12O5 and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-oxobutanedioate
Also Known As: Diethyl oxalacetate, diethyl 2-oxobutanedioate, Ethyl oxalacetate, diethyl 2-oxosuccinate, Diethyl oxaloacetate
| Molecular Formula | C8H12O5 |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.06847 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 108-56-5 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C(=O)OCC |
| InChIKey | JDXYSCUOABNLIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl oxalacetate (CAS 108-56-5), with molecular formula C8H12O5 and molecular weight 188.07 g/mol. IUPAC: diethyl 2-oxobutanedioate.
Chemical Property Profile of Diethyl oxalacetate
Property Insights of Diethyl oxalacetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl oxalacetate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl oxalacetate. Following Lipinski's Rule of Five, Diethyl oxalacetate has 0 hydrogen bond donor(s) and 5 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 Diethyl oxalacetate?
The CAS number of Diethyl oxalacetate is 108-56-5.
What is the molecular formula of Diethyl oxalacetate?
The molecular formula of Diethyl oxalacetate is C8H12O5.
What is the molecular weight of Diethyl oxalacetate?
The molecular weight of Diethyl oxalacetate is 188.07 g/mol.
Where can I buy Diethyl oxalacetate?
You can request a quote for Diethyl oxalacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl oxalacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl oxalacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.