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(S)-3-(4-phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Ibrutinib Impurity

  • CAS No. 1642630-12-3

  • Cat. No. CS-0164754
  • Purity≥98%
  • MDL No.None

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

(S)-3-(4-phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine  Ibrutinib Impurity|CS-0164754

Structure of 1642630-12-3

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General Information

  • CAS No. 1642630-12-3
  • Cat. No. CS-0164754
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₂H₂₂N₆O
  • Molecular Weight 386.45
  • Synonym(s) Ibrutinib iMpurity SYGIM
  • SMILES NC1=C2C(N([C@@H]3CNCCC3)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1

Safety Information

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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

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Computational Chemistry Data

  • TPSA   90.88
  • LogP   3.7923
  • H_Acceptors   7
  • H_Donors   2
  • Rotatable_Bonds   4

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