Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate
TL;DR: Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate (CAS 25409-39-6) is a chemical compound with molecular formula C9H14O5 and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyloxy-2-methyl-3-oxobutanoate
Also Known As: Ethyl 2-acetoxy-2-methylacetoacetate, Ethyl 2-acetyllactate acetate, Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate, ethyl 2-acetyloxy-2-methyl-3-oxobutanoate, 2-Ethyl-1,3-cyclopentanedione
| Molecular Formula | C9H14O5 |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.08412 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 25409-39-6 |
|---|---|
| SMILES | CCOC(=O)C(C)(C(=O)C)OC(=O)C |
| InChIKey | RHFWCEYBHLGCKH-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate (CAS 25409-39-6), with molecular formula C9H14O5 and molecular weight 202.08 g/mol. IUPAC: ethyl 2-acetyloxy-2-methyl-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate
Property Insights of Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate has 0 hydrogen bond donor(s) and 5 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 Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate?
The CAS number of Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate is 25409-39-6.
What is the molecular formula of Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate?
The molecular formula of Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate is C9H14O5.
What is the molecular weight of Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate?
The molecular weight of Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate is 202.08 g/mol.
Where can I buy Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate?
You can request a quote for Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(acetyloxy)-2-methyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.