Monoethyl oxalate
TL;DR: Monoethyl oxalate (CAS 617-37-8) is a chemical compound with molecular formula C4H6O4 and molecular weight 118.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-2-oxoacetic acid
Also Known As: 2-ethoxy-2-oxoacetic acid, Monoethyl oxalate, Ethyl hydrogen oxalate, Oxalic Acid Ethyl Ester, oxalic acid 1-ethyl ester
| Molecular Formula | C4H6O4 |
|---|---|
| Molecular Weight | 118.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.02661 |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 617-37-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)O |
| InChIKey | JRMAQQQTXDJDNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monoethyl oxalate (CAS 617-37-8), with molecular formula C4H6O4 and molecular weight 118.03 g/mol. IUPAC: 2-ethoxy-2-oxoacetic acid.
Chemical Property Profile of Monoethyl oxalate
Property Insights of Monoethyl oxalate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monoethyl oxalate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoethyl oxalate. Following Lipinski's Rule of Five, Monoethyl oxalate has 1 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 Monoethyl oxalate?
The CAS number of Monoethyl oxalate is 617-37-8.
What is the molecular formula of Monoethyl oxalate?
The molecular formula of Monoethyl oxalate is C4H6O4.
What is the molecular weight of Monoethyl oxalate?
The molecular weight of Monoethyl oxalate is 118.03 g/mol.
Where can I buy Monoethyl oxalate?
You can request a quote for Monoethyl oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoethyl oxalate?
Yes, KEHONG BIO provides custom synthesis services for Monoethyl oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.