1-(2,4-Diethylphenyl)ethan-1-one
TL;DR: 1-(2,4-Diethylphenyl)ethan-1-one (CAS 52191-01-2) 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-diethylphenyl)ethanone
Also Known As: 1-(2,4-diethylphenyl)ethanone, 1-(2,4-Diethylphenyl)ethan-1-one, Ethanone, 1-(2,4-diethylphenyl)-, 2',4'-diethyl acetophenone, 1 - (2,4 - diethylphenyl)ethan - 1 - one
| 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 | 3 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 52191-01-2 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)C(=O)C)CC |
| InChIKey | DAMITWKYTRCTAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,4-Diethylphenyl)ethan-1-one (CAS 52191-01-2), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-(2,4-diethylphenyl)ethanone.
Chemical Property Profile of 1-(2,4-Diethylphenyl)ethan-1-one
Property Insights of 1-(2,4-Diethylphenyl)ethan-1-one
The XLogP value of 3.2 indicates that 1-(2,4-Diethylphenyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(2,4-Diethylphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Diethylphenyl)ethan-1-one 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-(2,4-Diethylphenyl)ethan-1-one?
The CAS number of 1-(2,4-Diethylphenyl)ethan-1-one is 52191-01-2.
What is the molecular formula of 1-(2,4-Diethylphenyl)ethan-1-one?
The molecular formula of 1-(2,4-Diethylphenyl)ethan-1-one is C12H16O.
What is the molecular weight of 1-(2,4-Diethylphenyl)ethan-1-one?
The molecular weight of 1-(2,4-Diethylphenyl)ethan-1-one is 176.12 g/mol.
Where can I buy 1-(2,4-Diethylphenyl)ethan-1-one?
You can request a quote for 1-(2,4-Diethylphenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Diethylphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Diethylphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.