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CS-W001157 4
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1-Isopropyl-1H-indazole-3-carboxylic acid

  • CAS No. 173600-14-1

  • Cat. No. CS-0313271
  • Purity≥98%
  • MDL No.None

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

1-Isopropyl-1H-indazole-3-carboxylic acid|CS-0313271

Structure of 173600-14-1

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General Information

  • CAS No. 173600-14-1
  • Cat. No. CS-0313271
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂O₂
  • Molecular Weight 204.23
  • Synonym(s) 1-ISOPROPYLINDAZOLE-3-CARBOXYLIC ACID
  • SMILES CC(C)N1C2=CC=CC=C2C(=N1)C(=O)O

Synthesis

  • Route1
    • 1-Isopropyl-1H-indazole-3-carboxylic acid methyl ester|CS-0340061
      173600-05-0
    • ~%
    • 1-Isopropyl-1H-indazole-3-carboxylic acid|CS-0313271
      173600-14-1

    References

    • THERAVANCE, INC. Patent: US2006/183901 A1, 2006 ; Location in patent: Page/Page column 10 ; US 20060183901 A1
  • Route2

    References

    • Eli Lilly and Company Patent: US6069152 A1, 2000 ;
  • Route3

    References

    • Harada; Morie; Hirokawa; Terauchi; Fujiwara; Yoshida; Kato Chemical and Pharmaceutical Bulletin, 1995 , vol. 43, # 11 p. 1912 - 1930

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   55.12
  • LogP   2.3154
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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