Cas no 90396-00-2 (3-(4-Chlorophenyl)sulfonylpropanoic acid)
3-(4-Chlorophenyl)sulfonylpropanoic acid Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-[(4-chlorophenyl)sulfonyl]-
- 3-(4-CHLORO-BENZENESULFONYL)-PROPIONIC ACID
- 3-(4-Chlorobenzenesulfonyl)-propionic acid
- 3-(4-chlorobenzenesulfonyl)propanoic acid
- 3-(4-Chlorobenzenesulfonyl)propionic acid
- 90396-00-2
- 3-(4-chloro-benzenesulfonyl)-propionic acid, AldrichCPR
- 3-(4-chlorophenylsulfonyl)propanoic acid
- Z56820377
- EN300-00068
- AKOS000114515
- BB 0219422
- 3-(4-chlorophenyl)sulfonylpropanoic acid
- F1900-0033
- CS-0208367
- HMS1648H15
- 3-((4-chlorophenyl)sulfonyl)propanoicacid
- 3-[(4-Chlorophenyl)sulfonyl]propanoic acid
- A922478
- SR-01000389216-1
- SR-01000389216
- 3-[p-Chlorophenylsulfonyl]propionic acid
- MFCD00278360
- DTXSID10341552
- 3-(4-CHLORO-BENZENESULFONYL)-PROPIONICACID
- F0349-0855
- NS-03666
- EU-0033346
- 3-((4-chlorophenyl)sulfonyl)propanoic acid
- SCHEMBL1940753
- Oprea1_489427
- 3-[(4-Chlorophenyl)sulfonyl]propanoic acid #
- CCG-202967
- STK288084
- propanoic acid, 3-[(4-chlorophenyl)sulfonyl]-
- ALBB-009428
- BBL007990
- G30305
- 3-(4-Chlorophenyl)sulfonylpropanoic acid
-
- MDL: MFCD00278360
- Inchi: 1S/C9H9ClO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
- InChI Key: ZEYRBFCQZXZIQU-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)S(CCC(=O)O)(=O)=O
Computed Properties
- Exact Mass: 246.983182
- Monoisotopic Mass: 246.983182
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 306
- 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
- Topological Polar Surface Area: 82.6
- XLogP3: 1.3
Experimental Properties
- Density: 1.455
- Boiling Point: 479.5°Cat760mmHg
- Flash Point: 243.8°C
3-(4-Chlorophenyl)sulfonylpropanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 059843-1g |
3-(4-Chloro-benzenesulfonyl)-propionic acid |
90396-00-2 | 95+% | 1g |
£307.00 | 2022-03-01 | |
| TRC | C995748-50mg |
3-[(4-Chlorophenyl)sulfonyl]propanoic Acid |
90396-00-2 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C995748-100mg |
3-[(4-Chlorophenyl)sulfonyl]propanoic Acid |
90396-00-2 | 100mg |
$ 70.00 | 2022-06-06 | ||
| TRC | C995748-500mg |
3-[(4-Chlorophenyl)sulfonyl]propanoic Acid |
90396-00-2 | 500mg |
$ 295.00 | 2022-06-06 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 020487-500mg |
3-(4-Chloro-benzenesulfonyl)-propionic acid |
90396-00-2 | 500mg |
2762CNY | 2021-05-07 | ||
| Fluorochem | 059843-5g |
3-(4-Chloro-benzenesulfonyl)-propionic acid |
90396-00-2 | 95+% | 5g |
£1021.00 | 2022-03-01 | |
| Fluorochem | 059843-10g |
3-(4-Chloro-benzenesulfonyl)-propionic acid |
90396-00-2 | 95+% | 10g |
£1633.00 | 2022-03-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 020487-500mg |
3-(4-Chloro-benzenesulfonyl)-propionic acid |
90396-00-2 | 500mg |
2762.0CNY | 2021-07-13 | ||
| 1PlusChem | 1P006R3G-10g |
propanoic acid, 3-[(4-chlorophenyl)sulfonyl]- |
90396-00-2 | 98% | 10g |
$601.00 | 2025-02-21 | |
| abcr | AB375185-500 mg |
3-[(4-Chlorophenyl)sulfonyl]propanoic acid |
90396-00-2 | 500MG |
€254.60 | 2023-02-03 |
3-(4-Chlorophenyl)sulfonylpropanoic acid Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
Additional information on 3-(4-Chlorophenyl)sulfonylpropanoic acid
Professional Introduction to 3-(4-Chlorophenyl)sulfonylpropanoic Acid (CAS No. 90396-00-2)
3-(4-Chlorophenyl)sulfonylpropanoic acid, chemically designated as C10H9ClO4S, is a significant compound in the realm of pharmaceutical and biochemical research. This compound, identified by its CAS number 90396-00-2, has garnered considerable attention due to its versatile applications in drug development and molecular biology. The structural uniqueness of this molecule, featuring a sulfonyl group attached to a propanoic acid backbone with a chlorophenyl moiety, makes it a valuable candidate for various synthetic and therapeutic investigations.
The chemical structure of 3-(4-Chlorophenyl)sulfonylpropanoic acid consists of a benzene ring substituted with a chlorine atom at the para position, linked to a sulfonyl group (-SO2-) which further connects to a propanoic acid chain. This configuration imparts specific electronic and steric properties that are highly relevant in medicinal chemistry. The presence of the sulfonyl group enhances the compound's solubility in polar solvents and contributes to its reactivity, making it an attractive scaffold for designing novel bioactive molecules.
In recent years, the pharmaceutical industry has shown increasing interest in sulfonyl-containing compounds due to their broad spectrum of biological activities. Studies have demonstrated that sulfonyl groups can modulate enzyme inhibition, receptor binding, and other pharmacophoric interactions, making them indispensable in the development of therapeutic agents. Specifically, 3-(4-Chlorophenyl)sulfonylpropanoic acid has been explored for its potential in inhibiting various enzymes and receptors involved in metabolic disorders, inflammation, and cancer.
One of the most compelling aspects of 3-(4-Chlorophenyl)sulfonylpropanoic acid is its role as an intermediate in the synthesis of more complex pharmacological entities. Researchers have leveraged its structural framework to develop derivatives with enhanced pharmacological profiles. For instance, modifications at the chlorophenyl ring or the sulfonyl group have led to compounds with improved selectivity and reduced toxicity. These derivatives are being tested in preclinical studies for their efficacy against a range of diseases.
The compound's utility extends beyond drug development into the realm of biochemical research. Its unique structure allows it to serve as a tool for studying enzyme mechanisms and protein interactions. By employing this compound as a substrate or inhibitor, scientists can gain insights into critical biological pathways and develop targeted therapies. Additionally, its use in high-throughput screening assays has facilitated the identification of new drug candidates with minimal off-target effects.
Recent advancements in computational chemistry have further highlighted the importance of 3-(4-Chlorophenyl)sulfonylpropanoic acid. Molecular modeling studies have revealed that this compound can effectively interact with specific binding pockets on target proteins, providing a rational basis for designing more potent inhibitors. These computational insights have guided experimental efforts, leading to faster and more efficient development pipelines.
The synthesis of 3-(4-Chlorophenyl)sulfonylpropanoic acid is another area where innovation has been prominent. Modern synthetic methodologies have enabled the production of this compound with high purity and yield, making it more accessible for research purposes. Techniques such as palladium-catalyzed cross-coupling reactions and enzymatic transformations have been particularly useful in constructing its complex framework efficiently.
In conclusion, 3-(4-Chlorophenyl)sulfonylpropanoic acid (CAS No. 90396-00-2) is a multifaceted compound with significant implications in pharmaceutical and biochemical research. Its unique structural features make it a valuable scaffold for drug development, while its applications in biochemical studies provide deeper insights into fundamental biological processes. As research continues to evolve, this compound is poised to play an even greater role in advancing our understanding of disease mechanisms and developing innovative therapeutic strategies.
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