Methyl 2-acetylacetoacetate
TL;DR: Methyl 2-acetylacetoacetate (CAS 4619-66-3) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyl-3-oxobutanoate
Also Known As: Methyl 2-acetyl-3-oxobutanoate, Methyl diacetoacetate, Methyl 2-acetylacetoacetate, Saikosaponin C, Methyl diacetylacetate
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 4619-66-3 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)C(=O)OC |
| InChIKey | UHCPCQYUMVLUKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-acetylacetoacetate (CAS 4619-66-3), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: methyl 2-acetyl-3-oxobutanoate.
Chemical Property Profile of Methyl 2-acetylacetoacetate
Property Insights of Methyl 2-acetylacetoacetate
The XLogP value of -0.1 indicates that Methyl 2-acetylacetoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-acetylacetoacetate. Following Lipinski's Rule of Five, Methyl 2-acetylacetoacetate 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 2-acetylacetoacetate?
The CAS number of Methyl 2-acetylacetoacetate is 4619-66-3.
What is the molecular formula of Methyl 2-acetylacetoacetate?
The molecular formula of Methyl 2-acetylacetoacetate is C7H10O4.
What is the molecular weight of Methyl 2-acetylacetoacetate?
The molecular weight of Methyl 2-acetylacetoacetate is 158.06 g/mol.
Where can I buy Methyl 2-acetylacetoacetate?
You can request a quote for Methyl 2-acetylacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetylacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetylacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.