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CS-W001157 4
Total: USD 88.00

5,7-Dimethyl-1H-indole-2-carboxylic acid

  • CAS No. 221675-45-2

  • Cat. No. CS-0041533
  • Purity≥98%
  • MDL No.MFCD02664421

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

5,7-Dimethyl-1H-indole-2-carboxylic acid|CS-0041533

Structure of 221675-45-2

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General Information

  • CAS No. 221675-45-2
  • Cat. No. CS-0041533
  • Purity ≥98%
  • MDL No. MFCD02664421
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) None
  • SMILES O=C(C(N1)=CC2=C1C(C)=CC(C)=C2)O

Synthesis

  • Route1
    • Ethyl 5,7-dimethyl-1H-indole-2-carboxylate|CS-0367023
      59549-49-4
    • ~%
    • 5,7-Dimethyl-1H-indole-2-carboxylic acid|CS-0041533
      221675-45-2

    References

    • Jablonowski, Jill A.; Grice, Cheryl A.; Chai, Wenying; Dvorak, Curt A.; Venable, Jennifer D.; Kwok, Annette K.; Ly, Kiev S.; Wei, Jianmei; Baker, Sherry M.; Desai, Pragnya J.; Jiang, Wen; Wilson, Sandy J.; Thurmond, Robin L.; Karlsson, Lars; Edwards, James P.; Lovenberg, Timothy W.; Carruthers, Nicholas I. Journal of Medicinal Chemistry, 2003 , vol. 46, # 19 p. 3957 - 3960

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   53.09
  • LogP   2.48294
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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