Cas no 898752-22-2 (ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate)
ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate
- ETHYL 4-(3,4-DIFLUOROPHENYL)-4-OXOBUTYRATE
- ETHYL4-(3,4-DIFLUOROPHENYL)-4-OXOBUTYRATE
- DTXSID80645579
- MFCD01320241
- 898752-22-2
- AKOS010910057
-
- MDL： MFCD01320241
- Inchi： 1S/C12H12F2O3/c1-2-17-12(16)6-5-11(15)8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3
- InChI Key： ZYPZSBVMXDYVRF-UHFFFAOYSA-N
- SMILES： FC1=C(C=CC(=C1)C(CCC(=O)OCC)=O)F
Computed Properties
- Exact Mass: 242.07500
- Monoisotopic Mass: 242.07545056g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 281
- 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: 1.9
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37000
- LogP: 2.49080
ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate Customs Data
- HS CODE：2918300090
- Customs Data：
China Customs Code:
2918300090Overview:
2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 207741-2g |
ethyl 4-(3,4-difluorophenyl)-4-oxobutyrate |
898752-22-2 | 97% | 2g |
￡716.00 | 2022-03-01 | |
| Fluorochem | 207741-5g |
ethyl 4-(3,4-difluorophenyl)-4-oxobutyrate |
898752-22-2 | 97% | 5g |
￡1753.00 | 2022-03-01 | |
| Fluorochem | 207741-1g |
ethyl 4-(3,4-difluorophenyl)-4-oxobutyrate |
898752-22-2 | 97% | 1g |
￡424.00 | 2022-03-01 | |
| A2B Chem LLC | AH90919-1g |
Ethyl 4-(3,4-difluorophenyl)-4-oxobutyrate |
898752-22-2 | 97% | 1g |
$516.00 | 2024-04-19 | |
| A2B Chem LLC | AH90919-2g |
Ethyl 4-(3,4-difluorophenyl)-4-oxobutyrate |
898752-22-2 | 97% | 2g |
$839.00 | 2024-04-19 | |
| A2B Chem LLC | AH90919-5g |
Ethyl 4-(3,4-difluorophenyl)-4-oxobutyrate |
898752-22-2 | 97% | 5g |
$1989.00 | 2024-04-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1649949-1g |
Ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate |
898752-22-2 | 98% | 1g |
￥4846.00 | 2024-04-26 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1649949-2g |
Ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate |
898752-22-2 | 98% | 2g |
￥8173.00 | 2024-04-26 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1649949-5g |
Ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate |
898752-22-2 | 98% | 5g |
￥20034.00 | 2024-04-26 |
ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
Additional information on ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate
Ethyl 4-(3,4-Difluorophenyl)-4-oxobutanoate (CAS No. 898752-22-2): A Comprehensive Overview
Ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate (CAS No. 898752-22-2) is a synthetic organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique structural features, including a difluorophenyl group and an ester functional group, which contribute to its potential therapeutic applications.
The chemical structure of ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate consists of a butanoic acid derivative with an ethyl ester at the carboxylic acid position and a 3,4-difluorophenyl substituent on the butanoyl moiety. The presence of these functional groups imparts specific physicochemical properties that are crucial for its biological activity and pharmacokinetic behavior.
Recent studies have highlighted the potential of ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate in various therapeutic areas. One notable application is in the treatment of neurodegenerative diseases, such as Alzheimer's and Parkinson's disease. Research has shown that this compound can modulate key signaling pathways involved in neuronal survival and function, making it a promising candidate for drug development.
In addition to its neuroprotective effects, ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate has also been investigated for its anti-inflammatory properties. In vitro and in vivo studies have demonstrated that this compound can inhibit the production of pro-inflammatory cytokines and reduce oxidative stress, which are critical factors in the pathogenesis of inflammatory diseases such as arthritis and multiple sclerosis.
The pharmacokinetic profile of ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate has been extensively studied to optimize its therapeutic potential. Preclinical data indicate that this compound exhibits favorable absorption, distribution, metabolism, and excretion (ADME) properties. It is rapidly absorbed from the gastrointestinal tract and has a moderate plasma half-life, allowing for sustained therapeutic effects with minimal dosing frequency.
To further enhance its therapeutic efficacy, researchers have explored various drug delivery systems for ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate. Nanoparticle-based formulations have shown promise in improving the bioavailability and targeting specificity of this compound, thereby reducing systemic side effects and enhancing local drug concentrations at the site of action.
Clinical trials are currently underway to evaluate the safety and efficacy of ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate in human subjects. Preliminary results from phase I trials have demonstrated that this compound is well-tolerated at therapeutic doses with no significant adverse effects reported. These findings provide a strong foundation for advancing to phase II and III trials to further validate its clinical utility.
In conclusion, ethyl 4-(3,4-difluorophenyl)-4-oxobutanoate (CAS No. 898752-22-2) represents a promising lead compound with diverse therapeutic applications. Its unique chemical structure and favorable pharmacological properties make it an attractive candidate for further development in the treatment of neurodegenerative diseases and inflammatory disorders. Ongoing research and clinical trials will continue to elucidate its full potential as a novel therapeutic agent.
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