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CS-W001157 4
Total: USD 88.00

4,5,6,7-Tetrahydro-1-benzothiophene-3-carboxylic acid

  • CAS No. 19156-54-8

  • Cat. No. CS-0060794
  • Purity≥97%
  • MDL No.MFCD00652575

*For research and further manufacturing use only, not for direct human use.

4,5,6,7-Tetrahydro-1-benzothiophene-3-carboxylic acid|CS-0060794

Structure of 19156-54-8

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General Information

  • CAS No. 19156-54-8
  • Cat. No. CS-0060794
  • Purity ≥97%
  • MDL No. MFCD00652575
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂S
  • Molecular Weight None
  • Synonym(s) 4,5,6,7-Tetrahydrobenzothiophene-3-carboxylic acid
  • SMILES C1CCC2=C(C1)C(=CS2)C(=O)O

Description

4,5,6,7-Tetrahydro-1-benzothiophene-3-carboxylic acid features a saturated benzothiophene core with a carboxylic acid at the 3-position, offering enhanced solubility and metabolic stability. This scaffold integrates readily into bioactive molecules, serving as a key building block in medicinal chemistry for targeted ligands and functional materials.

Application

4,5,6,7-Tetrahydro-1-benzothiophene-3-carboxylic acid serves as a versatile scaffold in medicinal chemistry, enabling the construction of bioactive heterocycles through standard functional group manipulations. Its carboxylic acid functionality facilitates direct coupling reactions, while the saturated thiophene core offers enhanced metabolic stability and favorable physicochemical properties for drug discovery applications.

Synthesis

  • Route1
    • Ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|CS-0210238
      14559-12-7
    • ~98%
    • In-stock
      4,5,6,7-Tetrahydro-1-benzothiophene-3-carboxylic acid|CS-0060794
      19156-54-8

    References

    • Mitsumori, Susumu; Tsuri, Tatsuo; Honma, Tsunetoshi; Hiramatsu, Yoshiharu; Okada, Toshihiko; Hashizume, Hiroshi; Inagaki, Masanao; Arimura, Akinori; Yasui, Kiyoshi; Asanuma, Fujio; Kishino, Junji; Ohtani, Mitsuaki Journal of Medicinal Chemistry, 2003 , vol. 46, # 12 p. 2446 - 2455
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 46, # 12 p. 2446 - 2455

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.3251
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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