2-Methoxyethyl acetoacetate
TL;DR: 2-Methoxyethyl acetoacetate (CAS 22502-03-0) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 3-oxobutanoate
Also Known As: 2-Methoxyethyl acetoacetate, 2-Methoxyethyl 3-oxobutanoate, 2-Methoxyethylacetoacetate, Nitrendipine Impurity R, Acetoacetic Acid 2-Methoxyethyl Ester
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 22502-03-0 |
|---|---|
| SMILES | CC(=O)CC(=O)OCCOC |
| InChIKey | PLHCSZRZWOWUBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxyethyl acetoacetate (CAS 22502-03-0), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 2-methoxyethyl 3-oxobutanoate.
Chemical Property Profile of 2-Methoxyethyl acetoacetate
Property Insights of 2-Methoxyethyl acetoacetate
The XLogP value of -0.3 indicates that 2-Methoxyethyl acetoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methoxyethyl acetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyethyl acetoacetate 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 2-Methoxyethyl acetoacetate?
The CAS number of 2-Methoxyethyl acetoacetate is 22502-03-0.
What is the molecular formula of 2-Methoxyethyl acetoacetate?
The molecular formula of 2-Methoxyethyl acetoacetate is C7H12O4.
What is the molecular weight of 2-Methoxyethyl acetoacetate?
The molecular weight of 2-Methoxyethyl acetoacetate is 160.07 g/mol.
Where can I buy 2-Methoxyethyl acetoacetate?
You can request a quote for 2-Methoxyethyl acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyethyl acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.