Ethylene glycol diacetoacetate
TL;DR: Ethylene glycol diacetoacetate (CAS 5459-04-1) is a chemical compound with molecular formula C10H14O6 and molecular weight 230.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxobutanoyloxy)ethyl 3-oxobutanoate
Also Known As: Ethylene glycol diacetoacetate, ethane-1,2-diyl bis(3-oxobutanoate), Ethylene diacetoacetate, 2-hydroxyethylacetoacetate, Acetoaceticacid Glycolester
| Molecular Formula | C10H14O6 |
|---|---|
| Molecular Weight | 230.08 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.07904 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 5459-04-1 |
|---|---|
| SMILES | CC(=O)CC(=O)OCCOC(=O)CC(=O)C |
| InChIKey | SJCUPJATWUWGAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylene glycol diacetoacetate (CAS 5459-04-1), with molecular formula C10H14O6 and molecular weight 230.08 g/mol. IUPAC: 2-(3-oxobutanoyloxy)ethyl 3-oxobutanoate.
Chemical Property Profile of Ethylene glycol diacetoacetate
Property Insights of Ethylene glycol diacetoacetate
The XLogP value of -0.3 indicates that Ethylene glycol diacetoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethylene glycol diacetoacetate. Following Lipinski's Rule of Five, Ethylene glycol diacetoacetate has 0 hydrogen bond donor(s) and 6 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 Ethylene glycol diacetoacetate?
The CAS number of Ethylene glycol diacetoacetate is 5459-04-1.
What is the molecular formula of Ethylene glycol diacetoacetate?
The molecular formula of Ethylene glycol diacetoacetate is C10H14O6.
What is the molecular weight of Ethylene glycol diacetoacetate?
The molecular weight of Ethylene glycol diacetoacetate is 230.08 g/mol.
Where can I buy Ethylene glycol diacetoacetate?
You can request a quote for Ethylene glycol diacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylene glycol diacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethylene glycol diacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.