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CS-W001157 4
Total: USD 88.00

5-Chloro-3-ethyl-1H-indole-2-carboxylic acid

  • CAS No. 446830-67-7

  • Cat. No. CS-0477045
  • Purity≥98%
  • MDL No.None

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

5-Chloro-3-ethyl-1H-indole-2-carboxylic acid|CS-0477045

Structure of 446830-67-7

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General Information

  • CAS No. 446830-67-7
  • Cat. No. CS-0477045
  • 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) None
  • SMILES CCC1=C(NC2=C1C=C(Cl)C=C2)C(O)=O

Synthesis

  • Route1
    • Ethyl 5-chloro-3-ethyl-1h-indole-2-carboxylate|CS-0750683
      1377838-23-7
    • ~94%
    • 5-Chloro-3-ethyl-1H-indole-2-carboxylic acid|CS-0477045
      446830-67-7

    References

    • Piscitelli, Francesco; Ligresti, Alessia; La Regina, Giuseppe; Coluccia, Antonio; Morera, Ludovica; Allara, Marco; Novellino, Ettore; Di Marzo, Vincenzo; Silvestri, Romano Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5627 - 5631
  • Route2
    • null|null
      1374964-61-0
    • ~%
    • 5-Chloro-3-ethyl-1H-indole-2-carboxylic acid|CS-0477045
      446830-67-7

    References

    • Piscitelli, Francesco; Ligresti, Alessia; La Regina, Giuseppe; Coluccia, Antonio; Morera, Ludovica; Allara, Marco; Novellino, Ettore; Di Marzo, Vincenzo; Silvestri, Romano Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5627 - 5631
  • Route3

    References

    • Piscitelli, Francesco; Ligresti, Alessia; La Regina, Giuseppe; Coluccia, Antonio; Morera, Ludovica; Allara, Marco; Novellino, Ettore; Di Marzo, Vincenzo; Silvestri, Romano Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5627 - 5631

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   3.0819
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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