1-(2,3,4-Trimethylphenyl)ethanone
TL;DR: 1-(2,3,4-Trimethylphenyl)ethanone (CAS 1467-36-3) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,4-trimethylphenyl)ethanone
Also Known As: 1-(2,3,4-Trimethylphenyl)ethanone, 2,3,4-Trimethylacetophenone, 2',3',4'-Trimethylacetophenone, 1-(2,3,4-trimethylphenyl)ethan-1-one, Ethanone, 1-(2,3,4-trimethylphenyl)-
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 1467-36-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)C)C)C |
| InChIKey | RVPPPQUJELLLDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,3,4-Trimethylphenyl)ethanone (CAS 1467-36-3), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 1-(2,3,4-trimethylphenyl)ethanone.
Chemical Property Profile of 1-(2,3,4-Trimethylphenyl)ethanone
Property Insights of 1-(2,3,4-Trimethylphenyl)ethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3,4-Trimethylphenyl)ethanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(2,3,4-Trimethylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3,4-Trimethylphenyl)ethanone 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 1-(2,3,4-Trimethylphenyl)ethanone?
The CAS number of 1-(2,3,4-Trimethylphenyl)ethanone is 1467-36-3.
What is the molecular formula of 1-(2,3,4-Trimethylphenyl)ethanone?
The molecular formula of 1-(2,3,4-Trimethylphenyl)ethanone is C11H14O.
What is the molecular weight of 1-(2,3,4-Trimethylphenyl)ethanone?
The molecular weight of 1-(2,3,4-Trimethylphenyl)ethanone is 162.10 g/mol.
Where can I buy 1-(2,3,4-Trimethylphenyl)ethanone?
You can request a quote for 1-(2,3,4-Trimethylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,4-Trimethylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,4-Trimethylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.