Ethyl 3-(3-methylphenyl)-3-oxopropanoate
TL;DR: Ethyl 3-(3-methylphenyl)-3-oxopropanoate (CAS 33166-79-9) 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-(3-methylphenyl)-3-oxopropanoate
Also Known As: Ethyl 3-oxo-3-(m-tolyl)propanoate, Ethyl (3-methylbenzoyl)acetate, ethyl 3-(3-methylphenyl)-3-oxopropanoate, Ethyl m-toluoylacetate, Ethyl m-methylbenzoylacetate
| 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 | 33166-79-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC=CC(=C1)C |
Product Overview
Ethyl 3-(3-methylphenyl)-3-oxopropanoate (CAS 33166-79-9), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: ethyl 3-(3-methylphenyl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(3-methylphenyl)-3-oxopropanoate
Property Insights of Ethyl 3-(3-methylphenyl)-3-oxopropanoate
The XLogP value of 2.13092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(3-methylphenyl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 3-(3-methylphenyl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(3-methylphenyl)-3-oxopropanoate 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 3-(3-methylphenyl)-3-oxopropanoate?
The CAS number of Ethyl 3-(3-methylphenyl)-3-oxopropanoate is 33166-79-9.
What is the molecular formula of Ethyl 3-(3-methylphenyl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(3-methylphenyl)-3-oxopropanoate is C12H14O3.
What is the molecular weight of Ethyl 3-(3-methylphenyl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(3-methylphenyl)-3-oxopropanoate is 206.09 g/mol.
Where can I buy Ethyl 3-(3-methylphenyl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(3-methylphenyl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(3-methylphenyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-methylphenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.