2,4,6-Trimethylpropiophenone
TL;DR: 2,4,6-Trimethylpropiophenone (CAS 2040-15-5) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4,6-trimethylphenyl)propan-1-one
Also Known As: 1-Mesitylpropan-1-one, Propiomesitylene, 2,4,6-Trimethylpropiophenone, ethylmesitylketone, Mesitylethyl ketone
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 2040-15-5 |
|---|---|
| SMILES | CCC(=O)C1=C(C=C(C=C1C)C)C |
| InChIKey | BMMJTVCPHGOCSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trimethylpropiophenone (CAS 2040-15-5), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-(2,4,6-trimethylphenyl)propan-1-one.
Chemical Property Profile of 2,4,6-Trimethylpropiophenone
Property Insights of 2,4,6-Trimethylpropiophenone
The XLogP value of 3.2 indicates that 2,4,6-Trimethylpropiophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4,6-Trimethylpropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylpropiophenone has 0 hydrogen bond donor(s) and 1 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 2,4,6-Trimethylpropiophenone?
The CAS number of 2,4,6-Trimethylpropiophenone is 2040-15-5.
What is the molecular formula of 2,4,6-Trimethylpropiophenone?
The molecular formula of 2,4,6-Trimethylpropiophenone is C12H16O.
What is the molecular weight of 2,4,6-Trimethylpropiophenone?
The molecular weight of 2,4,6-Trimethylpropiophenone is 176.12 g/mol.
Where can I buy 2,4,6-Trimethylpropiophenone?
You can request a quote for 2,4,6-Trimethylpropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethylpropiophenone?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylpropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.