Cas no 2138033-40-4 (4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one)
4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one Chemical and Physical Properties
Names and Identifiers
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- 4-ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one
- 2138033-40-4
- EN300-1156761
- 4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one
-
- Inchi: 1S/C13H24O/c1-5-10-7-8-11(14)9-12(10)13(3,4)6-2/h10,12H,5-9H2,1-4H3
- InChI Key: HSXRJSSZHXYECG-UHFFFAOYSA-N
- SMILES: O=C1CCC(CC)C(C1)C(C)(C)CC
Computed Properties
- Exact Mass: 196.182715385g/mol
- Monoisotopic Mass: 196.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 17.1?2
4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1156761-1.0g |
4-ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one |
2138033-40-4 | 1g |
$0.0 | 2023-06-09 |
4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
Additional information on 4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one
Recent Advances in the Study of 4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one (CAS: 2138033-40-4) and Its Applications in Chemical Biology and Pharmaceutical Research
The compound 4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one (CAS: 2138033-40-4) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research brief aims to synthesize the latest findings related to this compound, focusing on its synthesis, biological activity, and potential applications in drug development.
Recent studies have highlighted the efficient synthesis routes for 4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one, with particular emphasis on stereoselective methods that yield high purity and enantiomeric excess. Advanced catalytic systems, including chiral organocatalysts and transition metal complexes, have been employed to achieve these synthetic goals. The compound's structural complexity, characterized by its cyclohexanone core and branched alkyl substituents, presents both challenges and opportunities in synthetic chemistry.
In pharmacological investigations, preliminary in vitro studies have demonstrated that 4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one exhibits moderate inhibitory activity against certain enzymes involved in inflammatory pathways. Structure-activity relationship (SAR) studies have been conducted to explore modifications of the cyclohexanone scaffold and their effects on biological activity. These studies suggest that the ethyl and 2-methylbutan-2-yl substituents play crucial roles in the compound's interaction with biological targets.
Recent computational modeling and molecular docking studies have provided insights into the potential binding modes of this compound with various protein targets. The hydrophobic nature of the substituents appears to contribute significantly to binding affinity, while the ketone functionality may participate in key hydrogen bonding interactions. These findings have important implications for the design of analogs with improved pharmacological properties.
In drug formulation research, the physicochemical properties of 4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one, including its solubility profile and stability under various conditions, have been characterized. These studies are critical for assessing the compound's potential as a drug candidate and for guiding formulation strategies. The compound's logP value and membrane permeability suggest favorable characteristics for oral bioavailability.
Ongoing research is exploring the potential of this compound as a scaffold for the development of novel therapeutic agents targeting neurological disorders and metabolic diseases. The unique combination of structural features in 4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one makes it particularly interesting for CNS-targeted drug discovery, where balanced lipophilicity and molecular weight are crucial factors.
In conclusion, 4-Ethyl-3-(2-methylbutan-2-yl)cyclohexan-1-one (CAS: 2138033-40-4) represents a promising chemical entity with diverse potential applications in pharmaceutical research. The current body of research provides a solid foundation for further investigation into its therapeutic potential and for the development of structurally related compounds with optimized pharmacological profiles. Future studies should focus on expanding the understanding of its mechanism of action and evaluating its efficacy in relevant disease models.
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