Methyl 2,4,5-triethoxyphenyl ketone
TL;DR: Methyl 2,4,5-triethoxyphenyl ketone (CAS 63213-29-6) is a chemical compound with molecular formula C14H20O4 and molecular weight 252.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,4,5-triethoxyphenyl)ethanone
Also Known As: 2,4,5-Triethoxyacetophenone, 1-(2,4,5-Triethoxyphenyl)ethanone, Trepibutone Impurity 3, 1-(2,4,5-Triethoxyphenyl)ethan-1-one, Ethanone, 1-(2,4,5-triethoxyphenyl)-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.13615 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.13615 Da |
| Heavy Atoms | 18 |
| Complexity | 254.0 |
| SMILES | CCOC1=CC(=C(C=C1C(=O)C)OCC)OCC |
| InChIKey | PXBWCOGDYXMWMC-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2,4,5-triethoxyphenyl ketone
Property Insights of Methyl 2,4,5-triethoxyphenyl ketone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4,5-triethoxyphenyl ketone. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 2,4,5-triethoxyphenyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,4,5-triethoxyphenyl ketone 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
What is the CAS number of Methyl 2,4,5-triethoxyphenyl ketone?
The CAS number of Methyl 2,4,5-triethoxyphenyl ketone is 63213-29-6.
What is the molecular formula of Methyl 2,4,5-triethoxyphenyl ketone?
The molecular formula of Methyl 2,4,5-triethoxyphenyl ketone is C14H20O4.
What is the molecular weight of Methyl 2,4,5-triethoxyphenyl ketone?
The molecular weight of Methyl 2,4,5-triethoxyphenyl ketone is 252.13615 g/mol.
Where can I buy Methyl 2,4,5-triethoxyphenyl ketone?
You can request a quote for Methyl 2,4,5-triethoxyphenyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2,4,5-triethoxyphenyl ketone?
Yes, CoreyChem provides custom synthesis services for Methyl 2,4,5-triethoxyphenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.