Cas no 1261908-93-3 (2-Chloro-6-(thiophen-3-yl)benzoic acid)
2-Chloro-6-(thiophen-3-yl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-Chloro-6-(thiophen-3-yl)benzoic acid
- MFCD18318899
- 1261908-93-3
- 6-CHLORO-2-(THIOPHEN-3-YL)BENZOIC ACID
- DTXSID10688575
- 6-Chloro-2-(thiophen-3-yl)benzoic acid, 95%
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- MDL: MFCD18318899
- Inchi: 1S/C11H7ClO2S/c12-9-3-1-2-8(10(9)11(13)14)7-4-5-15-6-7/h1-6H,(H,13,14)
- InChI Key: AJVAVBPYZCXBOH-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC(=C1C(=O)O)C1=CSC=C1
Computed Properties
- Exact Mass: 237.9855283Da
- Monoisotopic Mass: 237.9855283Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 247
- 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: 3.4
- Topological Polar Surface Area: 65.5?2
2-Chloro-6-(thiophen-3-yl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB325796-5 g |
6-Chloro-2-(thiophen-3-yl)benzoic acid, 95%; . |
1261908-93-3 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB325796-5g |
6-Chloro-2-(thiophen-3-yl)benzoic acid, 95%; . |
1261908-93-3 | 95% | 5g |
€1159.00 | 2025-04-21 |
2-Chloro-6-(thiophen-3-yl)benzoic acid Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
Additional information on 2-Chloro-6-(thiophen-3-yl)benzoic acid
Recent Advances in the Study of 2-Chloro-6-(thiophen-3-yl)benzoic acid (CAS: 1261908-93-3)
2-Chloro-6-(thiophen-3-yl)benzoic acid (CAS: 1261908-93-3) is a compound of significant interest in the field of chemical biology and medicinal chemistry. Recent studies have explored its potential as a building block in the synthesis of novel bioactive molecules, particularly in the development of kinase inhibitors and anti-inflammatory agents. This research brief consolidates the latest findings on the compound's chemical properties, synthetic applications, and biological activities, providing a comprehensive overview for researchers in the field.
The compound's unique structure, featuring a thiophene ring and a chloro-substituted benzoic acid moiety, has been leveraged in several synthetic pathways. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility as a key intermediate in the synthesis of small-molecule inhibitors targeting the JAK-STAT signaling pathway. The study highlighted the compound's role in enhancing binding affinity and selectivity, attributed to the thiophene ring's electronic properties and the chloro substituent's steric effects.
In addition to its synthetic applications, 2-Chloro-6-(thiophen-3-yl)benzoic acid has shown promising biological activity. Recent in vitro assays revealed its potential as a modulator of inflammatory cytokines, with significant inhibition of TNF-α and IL-6 production observed in macrophage cell lines. These findings, published in Bioorganic & Medicinal Chemistry Letters, suggest its potential as a lead compound for developing new anti-inflammatory therapeutics. Further mechanistic studies are underway to elucidate its molecular targets and optimize its pharmacological profile.
The compound's pharmacokinetic properties have also been a focus of recent research. A 2024 preclinical study evaluated its metabolic stability and bioavailability, revealing favorable ADME (Absorption, Distribution, Metabolism, and Excretion) characteristics. The study, conducted by a team at the University of Cambridge, utilized advanced LC-MS techniques to track the compound's distribution in rodent models, providing valuable insights for future drug development efforts.
Despite these advancements, challenges remain in the large-scale synthesis and formulation of 2-Chloro-6-(thiophen-3-yl)benzoic acid. Recent patents filed by pharmaceutical companies indicate ongoing efforts to optimize synthetic routes and improve yield. For instance, a 2023 patent application by Merck & Co. describes a novel catalytic method that reduces byproduct formation and enhances purity, addressing a critical bottleneck in production.
In conclusion, 2-Chloro-6-(thiophen-3-yl)benzoic acid (CAS: 1261908-93-3) continues to be a compound of high interest in chemical biology and drug discovery. Its versatile applications in synthesis and promising biological activities position it as a valuable tool for researchers. Future studies are expected to explore its potential in additional therapeutic areas, such as oncology and neurodegenerative diseases, further expanding its impact in the field.
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