Ethyl 2-acetyl-4-methyl-3-oxopentanoate
TL;DR: Ethyl 2-acetyl-4-methyl-3-oxopentanoate (CAS 79322-87-5) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-4-methyl-3-oxopentanoate
Also Known As: ethyl 2-acetyl-4-methyl-3-oxopentanoate, ethyl 2-isobutyrylacetoacetate, Ethyl 3-oxo-2-acetyl-4-methylpentanoate, Ethyl 2-acetyl-4-methyl-3-oxo-pentanoate, 2-Acetyl-4-methyl-3-oxo-pentanoic acid ethyl ester
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 0.9798 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 242.50655 |
Chemical Identifiers
| CAS Number | 79322-87-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)C(=O)C(C)C |
Product Overview
Ethyl 2-acetyl-4-methyl-3-oxopentanoate (CAS 79322-87-5), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: ethyl 2-acetyl-4-methyl-3-oxopentanoate.
Chemical Property Profile of Ethyl 2-acetyl-4-methyl-3-oxopentanoate
Property Insights of Ethyl 2-acetyl-4-methyl-3-oxopentanoate
The XLogP value of 0.9798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetyl-4-methyl-3-oxopentanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetyl-4-methyl-3-oxopentanoate. Following Lipinski's Rule of Five, Ethyl 2-acetyl-4-methyl-3-oxopentanoate 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 Ethyl 2-acetyl-4-methyl-3-oxopentanoate?
The CAS number of Ethyl 2-acetyl-4-methyl-3-oxopentanoate is 79322-87-5.
What is the molecular formula of Ethyl 2-acetyl-4-methyl-3-oxopentanoate?
The molecular formula of Ethyl 2-acetyl-4-methyl-3-oxopentanoate is C10H16O4.
What is the molecular weight of Ethyl 2-acetyl-4-methyl-3-oxopentanoate?
The molecular weight of Ethyl 2-acetyl-4-methyl-3-oxopentanoate is 200.10 g/mol.
Where can I buy Ethyl 2-acetyl-4-methyl-3-oxopentanoate?
You can request a quote for Ethyl 2-acetyl-4-methyl-3-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetyl-4-methyl-3-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-4-methyl-3-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.