Cas no 66490-31-1 (4-chloro-3-methyl-1-benzothiophene-2-carboxylic acid)

4-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid is a heterocyclic carboxylic acid derivative with a benzothiophene core, featuring chloro and methyl substituents at the 4- and 3-positions, respectively. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its reactive carboxylic acid group allows for further functionalization, while the chloro and methyl substituents enhance its utility in regioselective reactions. The benzothiophene scaffold contributes to its stability and potential bioactivity, making it valuable in medicinal chemistry research. The compound is typically characterized by high purity and consistent performance, ensuring reliability in synthetic applications.
4-chloro-3-methyl-1-benzothiophene-2-carboxylic acid structure
66490-31-1 structure
Product Name:4-chloro-3-methyl-1-benzothiophene-2-carboxylic acid
CAS No:66490-31-1
MF:C10H7ClO2S
MW:226.679380655289
MDL:MFCD22490502
CID:1095380
PubChem ID:12398636
Update Time:2025-11-06

4-chloro-3-methyl-1-benzothiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-3-methylbenzo[b]thiophene-2-carboxylic acid
    • 4-chloro-3-methyl-1-benzothiophene-2-carboxylic acid
    • CS-0186986
    • 66490-31-1
    • SCHEMBL15619314
    • AS-42316
    • MFCD22490502
    • 4-CHLORO-3-METHYLBENZO[B]THIOPHENE-2-CARBOXYLICACID
    • AKOS022190055
    • DB-396785
    • MDL： MFCD22490502
    • Inchi： 1S/C10H7ClO2S/c1-5-8-6(11)3-2-4-7(8)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
    • InChI Key： GSUMXDXBXSOHIZ-UHFFFAOYSA-N
    • SMILES： ClC1=CC=CC2=C1C(C)=C(C(=O)O)S2

Computed Properties

  • Exact Mass: 225.9855283g/mol
  • Monoisotopic Mass: 225.9855283g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 246
  • 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: 3.8
  • Topological Polar Surface Area: 65.5?2

4-chloro-3-methyl-1-benzothiophene-2-carboxylic acid Security Information

4-chloro-3-methyl-1-benzothiophene-2-carboxylic acid Pricemore >>

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4-chloro-3-methyl-1-benzothiophene-2-carboxylic acid Related Literature

Additional information on 4-chloro-3-methyl-1-benzothiophene-2-carboxylic acid

Market Research and Analysis Report on 4-Chloro-3-Methyl-1-Benzothiophene-2-Carboxylic Acid (CAS No. 66490-31-1)

The compound 4-chloro-3-methyl-1-benzothiophene-2-carboxylic acid, identified by the CAS number 66490-31-1, has garnered significant attention in the fields of chemical biology and pharmaceutical research. This compound is notable for its unique structural properties and potential applications in drug development.

Recent studies have highlighted the compound's promising biological activities, particularly in anti-inflammatory and anti-cancer assays. Its thiophene ring structure contributes to its stability and bioavailability, making it a valuable candidate for further preclinical and clinical investigations.

Market demand for this compound is driven by its use in academic research, as well as its potential as a lead molecule in drug discovery programs. Key players in the chemical and pharmaceutical industries are actively exploring its synthesis and optimization to meet the growing demand from both research institutions and commercial entities.

Global suppliers of 4-chloro-3-methyl-1-benzothiophene-2-carboxylic acid are primarily located in regions with advanced chemical manufacturing capabilities, such as North America, Europe, and Asia-Pacific. These suppliers cater to a diverse range of clients, including research laboratories, biotechnology firms, and pharmaceutical companies.

The increasing focus on personalized medicine and the development of targeted therapies has further elevated the importance of this compound in the industry. Its inclusion in various research pipelines underscores its potential to contribute significantly to the advancement of therapeutic solutions.

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