Ethanone, 1-(2,5-diethylphenyl)-
TL;DR: Ethanone, 1-(2,5-diethylphenyl)- (CAS 2797-80-0) 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-(2,5-diethylphenyl)ethanone
Also Known As: 2,5-Diethylacetophenone, 2-5-diethylacetophenone, Ethanone, 1-(2,5-diethylphenyl)-, 1-(2,5-diethylphenyl)ethanone, Acetophenone, 2',5'-diethyl-
| 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 | 2797-80-0 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)CC)C(=O)C |
| InChIKey | XCNCPXSQWCEGBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(2,5-diethylphenyl)- (CAS 2797-80-0), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-(2,5-diethylphenyl)ethanone.
Chemical Property Profile of Ethanone, 1-(2,5-diethylphenyl)-
Property Insights of Ethanone, 1-(2,5-diethylphenyl)-
The XLogP value of 3.2 indicates that Ethanone, 1-(2,5-diethylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Ethanone, 1-(2,5-diethylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(2,5-diethylphenyl)- 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 Ethanone, 1-(2,5-diethylphenyl)-?
The CAS number of Ethanone, 1-(2,5-diethylphenyl)- is 2797-80-0.
What is the molecular formula of Ethanone, 1-(2,5-diethylphenyl)-?
The molecular formula of Ethanone, 1-(2,5-diethylphenyl)- is C12H16O.
What is the molecular weight of Ethanone, 1-(2,5-diethylphenyl)-?
The molecular weight of Ethanone, 1-(2,5-diethylphenyl)- is 176.12 g/mol.
Where can I buy Ethanone, 1-(2,5-diethylphenyl)-?
You can request a quote for Ethanone, 1-(2,5-diethylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(2,5-diethylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(2,5-diethylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.