Methyl 4-methoxyacetoacetate
TL;DR: Methyl 4-methoxyacetoacetate (CAS 608-40-2) is a chemical compound with molecular formula COCC(=O)CC(=O)OC and molecular weight 146.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methoxy-3-oxobutanoate
Also Known As: Methyl 4-methoxyacetoacetate, Methyl 4-methoxy-3-oxobutanoate, methyl-4-methoxyacetoacetate, Methyl methoxyacetoacetate, Methyl 4-methoxy-3-oxobutyrate
| Molecular Formula | COCC(=O)CC(=O)OC |
|---|---|
| Molecular Weight | 146.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0579 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 608-40-2 |
|---|---|
| SMILES | COCC(=O)CC(=O)OC |
| InChIKey | QGBPKJFJAVDUNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-methoxyacetoacetate (CAS 608-40-2), with molecular formula COCC(=O)CC(=O)OC and molecular weight 146.06 g/mol. IUPAC: methyl 4-methoxy-3-oxobutanoate.
Chemical Property Profile of Methyl 4-methoxyacetoacetate
Property Insights of Methyl 4-methoxyacetoacetate
The XLogP value of -0.1 indicates that Methyl 4-methoxyacetoacetate 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, Methyl 4-methoxyacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-methoxyacetoacetate 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 Methyl 4-methoxyacetoacetate?
The CAS number of Methyl 4-methoxyacetoacetate is 608-40-2.
What is the molecular formula of Methyl 4-methoxyacetoacetate?
The molecular formula of Methyl 4-methoxyacetoacetate is COCC(=O)CC(=O)OC.
What is the molecular weight of Methyl 4-methoxyacetoacetate?
The molecular weight of Methyl 4-methoxyacetoacetate is 146.06 g/mol.
Where can I buy Methyl 4-methoxyacetoacetate?
You can request a quote for Methyl 4-methoxyacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-methoxyacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methoxyacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.