Ethyl 2-methyl-beta-oxobenzenepropanoate
TL;DR: Ethyl 2-methyl-beta-oxobenzenepropanoate (CAS 51725-82-7) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-methylphenyl)-3-oxopropanoate
Also Known As: Ethyl 3-oxo-3-(o-tolyl)propanoate, Ethyl (2-methylbenzoyl)acetate, ethyl 3-(2-methylphenyl)-3-oxopropanoate, Ethyl o-toluoylacetate, ethyl 3-oxo-3-o-tolylpropanoate
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.13092 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 368.88492 |
Chemical Identifiers
| CAS Number | 51725-82-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1C |
Product Overview
Ethyl 2-methyl-beta-oxobenzenepropanoate (CAS 51725-82-7), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: ethyl 3-(2-methylphenyl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 2-methyl-beta-oxobenzenepropanoate
Property Insights of Ethyl 2-methyl-beta-oxobenzenepropanoate
The XLogP value of 2.13092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-beta-oxobenzenepropanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-methyl-beta-oxobenzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-beta-oxobenzenepropanoate has 0 hydrogen bond donor(s) and 3 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-methyl-beta-oxobenzenepropanoate?
The CAS number of Ethyl 2-methyl-beta-oxobenzenepropanoate is 51725-82-7.
What is the molecular formula of Ethyl 2-methyl-beta-oxobenzenepropanoate?
The molecular formula of Ethyl 2-methyl-beta-oxobenzenepropanoate is C12H14O3.
What is the molecular weight of Ethyl 2-methyl-beta-oxobenzenepropanoate?
The molecular weight of Ethyl 2-methyl-beta-oxobenzenepropanoate is 206.09 g/mol.
Where can I buy Ethyl 2-methyl-beta-oxobenzenepropanoate?
You can request a quote for Ethyl 2-methyl-beta-oxobenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-beta-oxobenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-beta-oxobenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.