Cas no 127527-76-8 (5-Benzofurancarboxylic acid; Et ester)
5-Benzofurancarboxylic acid; Et ester Chemical and Physical Properties
Names and Identifiers
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- 127527-76-8
- AKOS006271718
- Ethylbenzofuran-5-carboxylate
- benzofuran-5-carboxylic acid ethyl ester
- SCHEMBL6824879
- ethyl benzofuran-5-carboxylate
- ethyl 1-benzofuran-5-carboxylate
- 5-Benzofurancarboxylic acid; Et ester
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- Inchi: 1S/C11H10O3/c1-2-13-11(12)9-3-4-10-8(7-9)5-6-14-10/h3-7H,2H2,1H3
- InChI Key: NLIFMAOINVWKNL-UHFFFAOYSA-N
- SMILES: CCOC(C1C=C2C(OC=C2)=CC=1)=O
Computed Properties
- Exact Mass: 190.062994177Da
- Monoisotopic Mass: 190.062994177Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 215
- 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: 2.5
- Topological Polar Surface Area: 39.4?2
5-Benzofurancarboxylic acid; Et ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019094801-5g |
Ethyl benzofuran-5-carboxylate |
127527-76-8 | 97% | 5g |
460.56 USD | 2021-06-17 | |
| Alichem | A019094801-10g |
Ethyl benzofuran-5-carboxylate |
127527-76-8 | 97% | 10g |
798.00 USD | 2021-06-17 | |
| Alichem | A019094801-25g |
Ethyl benzofuran-5-carboxylate |
127527-76-8 | 97% | 25g |
1,252.48 USD | 2021-06-17 | |
| Chemenu | CM492350-1g |
Ethylbenzofuran-5-carboxylate |
127527-76-8 | 97% | 1g |
$193 | 2024-08-02 |
5-Benzofurancarboxylic acid; Et ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
Additional information on 5-Benzofurancarboxylic acid; Et ester
Introduction to 5-Benzofurancarboxylic acid; Et ester (CAS No. 127527-76-8) and Its Emerging Applications in Chemical Biology
5-Benzofurancarboxylic acid; Et ester, identified by the Chemical Abstracts Service Number (CAS No.) 127527-76-8, is a heterocyclic compound that has garnered significant attention in the field of chemical biology due to its unique structural and functional properties. This compound belongs to the benzofuran family, a class of molecules known for their broad spectrum of biological activities and pharmaceutical relevance. The ethyl ester derivative of 5-benzofurancarboxylic acid enhances its solubility and bioavailability, making it a valuable intermediate in synthetic chemistry and drug development.
The benzofuran core is a privileged scaffold in medicinal chemistry, frequently incorporated into bioactive molecules due to its ability to modulate various biological pathways. 5-Benzofurancarboxylic acid; Et ester exhibits structural features that allow for selective interactions with biological targets, including enzymes and receptors. Recent studies have highlighted its potential in the development of novel therapeutic agents, particularly in the treatment of inflammatory diseases, neurodegenerative disorders, and cancer.
In the realm of drug discovery, the synthesis and functionalization of 5-Benzofurancarboxylic acid; Et ester have been explored as a key intermediate in the construction of more complex pharmacophores. Researchers have leveraged its reactive sites—primarily the carboxylic acid moiety and the benzofuran ring—to develop derivatives with enhanced pharmacological properties. For instance, modifications at the 5-position of the benzofuran ring have been shown to influence binding affinity and metabolic stability, critical factors in drug design.
One of the most compelling aspects of 5-Benzofurancarboxylic acid; Et ester is its role in the synthesis of small-molecule inhibitors targeting enzymes involved in disease pathways. Emerging research indicates that derivatives of this compound exhibit inhibitory activity against kinases and other enzymes implicated in cancer progression. By fine-tuning the structure through strategic esterification and functional group manipulation, scientists have generated lead compounds that show promise in preclinical studies.
The ethyl ester form of 5-benzofurancarboxylic acid is particularly noteworthy for its improved pharmacokinetic profile compared to its free acid counterpart. This enhancement in solubility and bioavailability is attributed to the presence of the ethyl group, which facilitates better absorption and distribution within biological systems. Such attributes make it an attractive building block for developing orally active drugs.
Recent advancements in computational chemistry have further accelerated the exploration of 5-Benzofurancarboxylic acid; Et ester derivatives. Molecular modeling techniques have been employed to predict binding interactions with biological targets, enabling rational drug design. These computational approaches have identified novel analogs with optimized potency and selectivity, reducing off-target effects—a major concern in pharmaceutical development.
The compound’s versatility extends beyond its applications in drug discovery. It serves as a valuable tool in synthetic organic chemistry, where it is utilized to construct more complex heterocyclic frameworks. The benzofuran scaffold provides a stable platform for further functionalization, allowing chemists to explore diverse chemical transformations. This has led to the development of new synthetic methodologies that could be applied to other biologically relevant molecules.
Another area where 5-Benzofurancarboxylic acid; Et ester has made significant contributions is in the field of agrochemicals. Derivatives of this compound have been investigated for their potential as herbicides and fungicides due to their ability to interact with plant-specific enzymes. Such applications align with the growing demand for environmentally sustainable agricultural practices, where targeted bioactive molecules play a crucial role.
The future prospects for 5-Benzofurancarboxylic acid; Et ester are promising, with ongoing research focusing on expanding its therapeutic applications. Investigating its role in modulating immune responses has opened new avenues for treating autoimmune diseases and infections. Additionally, exploring its interactions with nuclear receptors has sparked interest in developing novel treatments for metabolic disorders.
In conclusion, 5-Benzofurancarboxylic acid; Et ester (CAS No. 127527-76-8) represents a versatile and multifaceted compound with significant implications in chemical biology and pharmaceutical science. Its unique structural features, combined with its enhanced solubility and bioavailability as an ethyl ester derivative, make it a valuable asset in drug discovery and synthetic chemistry. As research continues to uncover new applications and derivatives, this compound is poised to play an increasingly important role in addressing global health challenges.
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