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CS-W001157 4
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3-(3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl)propanoic acid

  • CAS No. 500025-07-0

  • Cat. No. CS-0037201
  • Molecule weight236.20
  • Purity≥97%
  • MDL No.None

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

3-(3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl)propanoic acid|CS-0037201

Structure of 500025-07-0

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General Information

  • CAS No. 500025-07-0
  • Cat. No. CS-0037201
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉FN₂O₃
  • Molecular Weight 236.20
  • Synonym(s) 3-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-propanoic acid
  • SMILES C1=C(C=CC(=C1)F)C2=NOC(=N2)CCC(=O)O

Synthesis

  • Route1
    • In-stock
      Succinic anhydride|CS-0011581
      108-30-5
    • null|null
      1194-02-1
    • ~%
    • In-stock
      3-(3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl)propanoic acid|CS-0037201
      500025-07-0

    References

    • Lueg, Corinna; Schepmann, Dirk; Guenther, Robert; Brust, Peter; Wuensch, Bernhard Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 23 p. 7481 - 7498
  • Route2

    References

    • Neves Filho, Ricardo Antonio Wanderley; Da Silva, Cecilia Aguiar; Da Silva, Clecia Sipriano Borges; Brustein, Vanessa Passos; Navarro, Daniela Maria Do Amaral Ferraz; Dos Santos, Fabio Andre Brayner; Alves, Luiz Carlos; Cavalcanti, Marilia Gabriela Dos Santos; Srivastava, Rajendra Mohan; Carneiro-Da-Cunha, Maria Das Gracas Chemical and Pharmaceutical Bulletin, 2009 , vol. 57, # 8 p. 819 - 825
  • Route3

    References

    • Cheng, Yuan; Albrecht, Brian K.; Brown, James; Buchanan, John L.; Buckner, William H.; DiMauro, Erin F.; Emkey, Renee; Fremeau Jr., Robert T.; Harmange, Jean-Christophe; Hoffman, Beth J.; Huang, Liyue; Huang, Ming; Lee, Josie Han; Lin, Fen-Fen; Martin, Matthew W.; Nguyen, Hung Q.; Patel, Vinod F.; Tomlinson, Susan A.; White, Ryan D.; Xia, Xiaoyang; Hitchcock, Stephen A. Journal of Medicinal Chemistry, 2008 , vol. 51, # 16 p. 5019 - 5034

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   76.22
  • LogP   1.8929
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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