Cas no 790263-82-0 (1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one)
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(3-ethyl-5-methyl-2-benzofuranyl)-
- Ethanone, 1-(3-ethyl-5-methyl-2-benzofuranyl)- (9CI)
- 1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one
- Z56347142
- 1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethanone
- AKOS023318378
- 1-(3-Ethyl-5-methylbenzofuran-2-yl)ethanone
- 790263-82-0
- EN300-10062
- AB01321079-02
- NCGC00325631-01
-
- Inchi: 1S/C13H14O2/c1-4-10-11-7-8(2)5-6-12(11)15-13(10)9(3)14/h5-7H,4H2,1-3H3
- InChI Key: ORRJENNPIMXIMA-UHFFFAOYSA-N
- SMILES: O1C(C(C)=O)=C(CC)C2C=C(C)C=CC1=2
Computed Properties
- Exact Mass: 202.099379685g/mol
- Monoisotopic Mass: 202.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 30.2?2
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-10062-0.05g |
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one |
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$42.0 | 2023-10-28 | |
| Enamine | EN300-10062-0.1g |
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one |
790263-82-0 | 95% | 0.1g |
$66.0 | 2023-10-28 | |
| Enamine | EN300-10062-0.25g |
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one |
790263-82-0 | 95% | 0.25g |
$92.0 | 2023-10-28 | |
| Enamine | EN300-10062-0.5g |
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one |
790263-82-0 | 95% | 0.5g |
$175.0 | 2023-10-28 | |
| Enamine | EN300-10062-1.0g |
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one |
790263-82-0 | 95% | 1.0g |
$256.0 | 2023-02-09 | |
| Enamine | EN300-10062-2.5g |
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one |
790263-82-0 | 95% | 2.5g |
$503.0 | 2023-10-28 | |
| Enamine | EN300-10062-5.0g |
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one |
790263-82-0 | 95% | 5.0g |
$743.0 | 2023-02-09 | |
| Enamine | EN300-10062-10.0g |
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one |
790263-82-0 | 95% | 10.0g |
$1101.0 | 2023-02-09 | |
| Enamine | EN300-10062-1g |
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one |
790263-82-0 | 95% | 1g |
$256.0 | 2023-10-28 | |
| Enamine | EN300-10062-5g |
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one |
790263-82-0 | 95% | 5g |
$743.0 | 2023-10-28 |
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
Additional information on 1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one (CAS No. 790263-82-0): An Overview of Its Chemical Properties and Biological Applications
1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one (CAS No. 790263-82-0) is a synthetic compound that has garnered significant attention in the fields of organic chemistry and medicinal chemistry due to its unique structural features and potential biological activities. This compound belongs to the class of benzofurans, which are characterized by a benzene ring fused with a furan ring. The presence of an ethyl and a methyl group at specific positions on the benzofuran ring, along with the ketone functionality, imparts distinct chemical and biological properties to this molecule.
The chemical structure of 1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one can be represented as C13H14O2. The molecular weight of this compound is approximately 206.25 g/mol. The compound is typically synthesized through a series of well-defined chemical reactions, including condensation, cyclization, and oxidation steps. These synthetic routes have been extensively studied and optimized to ensure high yields and purity, making the compound readily available for various research applications.
In terms of physical properties, 1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one is a solid at room temperature with a melting point ranging from 75°C to 78°C. It is slightly soluble in water but exhibits good solubility in organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). These solubility characteristics make it suitable for use in various biological assays and drug delivery systems.
The biological activity of 1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one has been the subject of numerous studies in recent years. One of the key areas of interest is its potential as an anti-inflammatory agent. Research has shown that this compound can effectively inhibit the production of pro-inflammatory cytokines such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-alpha) in vitro. These findings suggest that 1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one may have therapeutic potential in the treatment of inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.
Beyond its anti-inflammatory properties, 1-(3-ethyl-5-methyl-1-benzofuran-2-yl)ethan-1-one has also been investigated for its anticancer activity. Studies have demonstrated that this compound can induce apoptosis in various cancer cell lines, including breast cancer, colon cancer, and lung cancer cells. The mechanism by which 1-(3-ethyl-5-methyl-1-benzofuran-2-y l)ethan - 1 - one exerts its anticancer effects is not yet fully understood, but it is believed to involve the modulation of signaling pathways such as p53 and PI3K/Akt.
In addition to its direct biological effects, 1-(3-Ethyl - 5 - Methyl - 1 - Benzofuran - 2 - yl ) Ethan - 1 - one has also been explored as a lead compound for drug development. Researchers have synthesized several derivatives of this compound to enhance its potency and selectivity for specific targets. For example, modifications to the ethyl and methyl groups have been shown to improve the anti-inflammatory and anticancer activities of the parent compound. These efforts highlight the potential of 1-(3-Ethyl - 5 - Methyl - 1 - Benzofuran - 2 - yl ) Ethan - 1 - one as a scaffold for the development of novel therapeutic agents.
The safety profile of 1-(3-Ethyl - 5 - Methyl - 1 - Benzofuran - 2 - yl ) Ethan - 1 - one has also been evaluated in preclinical studies. Toxicity assessments have indicated that this compound is generally well-tolerated at therapeutic doses, with no significant adverse effects observed in animal models. However, further research is needed to fully understand its long-term safety and potential side effects in humans.
In conclusion, 1-(3-Ethyl - 5 - Methyl - 1 - Benzofuran - 2 - yl ) Ethan - 1 - one (CAS No. 790263-82-0) is a promising compound with diverse biological activities, including anti-inflammatory and anticancer properties. Its unique chemical structure and favorable pharmacological profile make it an attractive candidate for further investigation in both basic research and drug development. As research in this area continues to advance, it is likely that new applications for this compound will be discovered, further expanding its potential impact on human health.
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