Cas no 2137612-62-3 (5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid)
5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 5-bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid
- EN300-716629
- 2137612-62-3
- 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid
-
- Inchi: 1S/C12H17BrO2S/c1-3-5-8(6-4-2)9-7-10(13)16-11(9)12(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)
- InChI Key: MZTIKWZCWBQAOB-UHFFFAOYSA-N
- SMILES: BrC1=CC(=C(C(=O)O)S1)C(CCC)CCC
Computed Properties
- Exact Mass: 304.01326g/mol
- Monoisotopic Mass: 304.01326g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 229
- 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: 5.8
- Topological Polar Surface Area: 65.5?2
5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-716629-1.0g |
5-bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid |
2137612-62-3 | 1g |
$0.0 | 2023-06-06 |
5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
Additional information on 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid
Recent Advances in the Study of 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid (CAS: 2137612-62-3)
The compound 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid (CAS: 2137612-62-3) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This thiophene derivative, characterized by its unique bromo-substituted and heptyl-functionalized structure, has shown promising potential in various applications, including drug discovery, material science, and agrochemical development. Recent studies have focused on its synthesis, physicochemical properties, and biological activities, making it a compound of interest for researchers aiming to explore novel therapeutic agents and functional materials.
In a 2023 study published in the Journal of Medicinal Chemistry, researchers investigated the role of 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid as a key intermediate in the synthesis of small-molecule inhibitors targeting protein-protein interactions (PPIs). The study highlighted the compound's ability to serve as a versatile scaffold for the development of PPI modulators, particularly in oncology and neurodegenerative diseases. The bromo-substituted thiophene core was found to enhance binding affinity to target proteins, while the heptyl side chain contributed to improved lipophilicity and membrane permeability.
Another notable advancement was reported in ACS Chemical Biology, where the compound was utilized in the design of fluorescent probes for imaging cellular processes. The researchers demonstrated that 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid could be functionalized to produce probes with high selectivity and sensitivity for detecting reactive oxygen species (ROS) in live cells. This application underscores the compound's potential in diagnostic tools and real-time monitoring of oxidative stress-related pathologies.
From a synthetic chemistry perspective, recent work has optimized the production of 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid through greener methodologies. A 2024 paper in Green Chemistry detailed a catalytic, solvent-free approach that significantly reduced the environmental footprint of its synthesis while maintaining high yield and purity. This development is particularly relevant for industrial-scale production, where sustainability and cost-efficiency are critical considerations.
In conclusion, 5-Bromo-3-(heptan-4-yl)thiophene-2-carboxylic acid (CAS: 2137612-62-3) represents a multifaceted compound with broad applicability in chemical biology and pharmaceutical sciences. Its unique structural features and functional versatility make it a valuable tool for researchers exploring new therapeutic avenues and advanced materials. Future studies are expected to further elucidate its mechanisms of action and expand its applications in precision medicine and biotechnology.
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