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CS-W001157 4
Total: USD 88.00

3-(5-Chloro-1H-indol-3-yl)propanoic acid

  • CAS No. 54904-22-2

  • Cat. No. CS-0510590
  • Purity≥98%
  • MDL No.None

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

3-(5-Chloro-1H-indol-3-yl)propanoic acid|CS-0510590

Structure of 54904-22-2

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General Information

  • CAS No. 54904-22-2
  • Cat. No. CS-0510590
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀ClNO₂
  • Molecular Weight 223.66
  • Synonym(s) 5-CHLOROINDOLE-3-PROPIONIC ACID
  • SMILES O=C(O)CCC1=CNC2=C1C=C(Cl)C=C2

Synthesis

  • Route1

    References

    • Dinnell, Kevin; Elliott, Jason Matthew; Hollingworth, Gregory John; Ridgill, Mark Peter; Shaw, Duncan Edward Patent: US2001/39286 A1, 2001 ;
  • Route2
    • Ethyl 3-(5-chloro-1H-indol-3-yl)propanoate|CS-0519365
      221188-29-0
    • ~%
    • 3-(5-Chloro-1H-indol-3-yl)propanoic acid|CS-0510590
      54904-22-2

    References

    • Menciu, Cecilia; Duflos, Muriel; Fouchard, Fabienne; Le Baut, Guillaume; Emig, Peter; Achterrath, Ute; Szelenyi, Istvan; Nickel, Bernd; Schmidt, Juergen; Kutscher, Bernhard; Guenther, Eckhardt Journal of Medicinal Chemistry, 1999 , vol. 42, # 4 p. 638 - 648
  • Route3

    References

    • Menciu, Cecilia; Duflos, Muriel; Fouchard, Fabienne; Le Baut, Guillaume; Emig, Peter; Achterrath, Ute; Szelenyi, Istvan; Nickel, Bernd; Schmidt, Juergen; Kutscher, Bernhard; Guenther, Eckhardt Journal of Medicinal Chemistry, 1999 , vol. 42, # 4 p. 638 - 648

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.8385
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   3

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