Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate
TL;DR: Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate (CAS 54458-28-5) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate
Also Known As: Not Available, ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate, Ethyl 3-mesityl-3-oxopropanoate, 3-Oxo-3-(2,4,6-trimethylphenyl)propionic acid, 3-mesityl-3-oxo-propionic acid ethyl ester
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 54458-28-5 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=C(C=C(C=C1C)C)C |
| InChIKey | JKDAOORMLXVMGQ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate (CAS 54458-28-5), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate.
Chemical Property Profile of Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate
Property Insights of Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate
The XLogP value of 3.1 indicates that Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate 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-oxo-3-(2,4,6-trimethylphenyl)propanoate?
The CAS number of Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate is 54458-28-5.
What is the molecular formula of Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate?
The molecular formula of Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate is C14H18O3.
What is the molecular weight of Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate?
The molecular weight of Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate is 234.13 g/mol.
Where can I buy Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate?
You can request a quote for Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-3-(2,4,6-trimethylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.