Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)-
TL;DR: Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)- (CAS 51326-40-0) is a chemical compound with molecular formula C12H13Cl3O and molecular weight 278.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)-2,2,2-trichloroethanone
Also Known As: 1-(4-tert-butylphenyl)-2,2,2-trichloroethanone, P-TERT-BUTYL-2,2,2-TRICHLOROACETOPHENONE, Ethanone, 2,2,2-trichloro-1-[4-(1,1-dimethylethyl)phenyl]-, 2,2,2-Trichloro-4-tert-butyl acetophenone, 2-Chloro-1-(4-octylphenyl)ethanone
| Molecular Formula | C12H13Cl3O |
|---|---|
| Molecular Weight | 278.00 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0032 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 51326-40-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)C(Cl)(Cl)Cl |
| InChIKey | IMDHDEPPVWETOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)- (CAS 51326-40-0), with molecular formula C12H13Cl3O and molecular weight 278.00 g/mol. IUPAC: 1-(4-tert-butylphenyl)-2,2,2-trichloroethanone.
Chemical Property Profile of Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)-
Property Insights of Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)-
The XLogP value of 5.1 indicates that Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)- 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, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)-?
The CAS number of Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)- is 51326-40-0.
What is the molecular formula of Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)-?
The molecular formula of Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)- is C12H13Cl3O.
What is the molecular weight of Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)-?
The molecular weight of Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)- is 278.00 g/mol.
Where can I buy Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)-?
You can request a quote for Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2,2,2-trichloro-1-(4-(1,1-dimethylethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.