Cas no 1261956-57-3 (3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid)

3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid is a versatile intermediate in organic synthesis, particularly valued for its bifunctional reactivity due to the presence of both a formyl group and a carboxylic acid moiety. The trifluoromethyl group enhances its utility in pharmaceutical and agrochemical applications by improving metabolic stability and lipophilicity. This compound serves as a key building block in the synthesis of heterocyclic compounds, enabling the development of bioactive molecules. Its high purity and well-defined structure make it suitable for precision chemical transformations. The thiophene and benzoic acid framework further expands its applicability in materials science and medicinal chemistry research.
3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid structure
1261956-57-3 structure
Product Name:3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid
CAS No:1261956-57-3
MF:C13H7F3O3S
MW:300.253093004227
MDL:MFCD18319873
CID:2765938
PubChem ID:53225791
Update Time:2025-08-01

3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL2563115
    • 1261956-57-3
    • 3-(5-Formylthiophen-2-yl)-5-trifluoromethylbenzoic acid, 95%
    • MFCD18319873
    • DTXSID70689523
    • 3-(5-FORMYLTHIOPHEN-2-YL)-5-TRIFLUOROMETHYLBENZOIC ACID
    • 3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid
    • MDL： MFCD18319873
    • Inchi： 1S/C13H7F3O3S/c14-13(15,16)9-4-7(3-8(5-9)12(18)19)11-2-1-10(6-17)20-11/h1-6H,(H,18,19)
    • InChI Key： GWDMIGFKDOHMFE-UHFFFAOYSA-N
    • SMILES： S1C(C=O)=CC=C1C1=CC(C(=O)O)=CC(C(F)(F)F)=C1

Computed Properties

  • Exact Mass: 300.00679974Da
  • Monoisotopic Mass: 300.00679974Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 386
  • 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: 3.5
  • Topological Polar Surface Area: 82.6?2

3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB326957-5 g
3-(5-Formylthiophen-2-yl)-5-trifluoromethylbenzoic acid, 95%; .
 1261956-57-3 95%
5g
 €1159.00 2023-04-26
abcr
AB326957-5g
3-(5-Formylthiophen-2-yl)-5-trifluoromethylbenzoic acid, 95%; .
 1261956-57-3 95%
5g
 €1159.00 2025-02-27

3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid Related Literature

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Additional information on 3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid

Research Briefing on 3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid (CAS: 1261956-57-3)

In recent years, the compound 3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid (CAS: 1261956-57-3) has garnered significant attention in the field of chemical biology and medicinal chemistry due to its unique structural properties and potential therapeutic applications. This briefing aims to provide a comprehensive overview of the latest research developments related to this compound, focusing on its synthesis, biological activity, and potential applications in drug discovery.

The compound, characterized by its trifluoromethyl and formylthiophene moieties, has been identified as a promising scaffold for the development of novel small-molecule inhibitors. Recent studies have highlighted its role in modulating key biological pathways, particularly those involved in inflammation and oncology. Researchers have employed advanced synthetic strategies to optimize its pharmacokinetic properties, enhancing its bioavailability and target specificity.

One of the most notable findings comes from a 2023 study published in the Journal of Medicinal Chemistry, which demonstrated the compound's efficacy as a selective inhibitor of a specific kinase implicated in autoimmune diseases. The study utilized a combination of X-ray crystallography and molecular docking to elucidate the binding mechanism, revealing a high-affinity interaction with the target protein's active site. These insights have paved the way for further structural modifications to improve potency and reduce off-target effects.

In addition to its therapeutic potential, 3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid has also been explored as a versatile intermediate in the synthesis of more complex drug candidates. Its reactive aldehyde group allows for facile derivatization, enabling the rapid generation of diverse chemical libraries for high-throughput screening. This approach has been instrumental in identifying lead compounds with enhanced biological activity and reduced toxicity profiles.

Despite these advancements, challenges remain in the clinical translation of this compound. Issues such as metabolic stability and in vivo efficacy need to be addressed through further preclinical studies. However, the growing body of research underscores the compound's potential as a valuable tool in drug discovery and its relevance to addressing unmet medical needs.

In conclusion, 3-(5-Formylthiophen-2-YL)-5-trifluoromethylbenzoic acid represents a promising candidate for further investigation in the field of medicinal chemistry. Its unique structural features and demonstrated biological activity make it a compelling subject for ongoing and future research efforts. Continued exploration of its therapeutic applications and optimization of its pharmacological properties will be critical to unlocking its full potential.

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