4-Ethoxy-3,4-dioxobutanoic acid
TL;DR: 4-Ethoxy-3,4-dioxobutanoic acid (CAS 7597-72-0) is a chemical compound with molecular formula C6H8O5 and molecular weight 160.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-3,4-dioxobutanoic acid
Also Known As: 4-ethoxy-3,4-dioxobutanoic acid, 4-ethoxy-3,4-dioxobutanoicacid, 4-ethoxy-3,4-dioxo-butanoic acid
| Molecular Formula | C6H8O5 |
|---|---|
| Molecular Weight | 160.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.03717 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 7597-72-0 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC(=O)O |
| InChIKey | SJYGNUHWEVULGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethoxy-3,4-dioxobutanoic acid (CAS 7597-72-0), with molecular formula C6H8O5 and molecular weight 160.04 g/mol. IUPAC: 4-ethoxy-3,4-dioxobutanoic acid.
Chemical Property Profile of 4-Ethoxy-3,4-dioxobutanoic acid
Property Insights of 4-Ethoxy-3,4-dioxobutanoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-3,4-dioxobutanoic acid. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxy-3,4-dioxobutanoic acid. Following Lipinski's Rule of Five, 4-Ethoxy-3,4-dioxobutanoic acid has 1 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 4-Ethoxy-3,4-dioxobutanoic acid?
The CAS number of 4-Ethoxy-3,4-dioxobutanoic acid is 7597-72-0.
What is the molecular formula of 4-Ethoxy-3,4-dioxobutanoic acid?
The molecular formula of 4-Ethoxy-3,4-dioxobutanoic acid is C6H8O5.
What is the molecular weight of 4-Ethoxy-3,4-dioxobutanoic acid?
The molecular weight of 4-Ethoxy-3,4-dioxobutanoic acid is 160.04 g/mol.
Where can I buy 4-Ethoxy-3,4-dioxobutanoic acid?
You can request a quote for 4-Ethoxy-3,4-dioxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-3,4-dioxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-3,4-dioxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.