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(R)-4-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)pent-4-enoic acid Ibrutinib Impurity

  • CAS No. 2052279-48-6

  • Cat. No. CS-0164739
  • Molecule weight512.56
  • Purity≥98%
  • MDL No.None

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

(R)-4-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)pent-4-enoic acid  Ibrutinib Impurity|CS-0164739

Structure of 2052279-48-6

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General Information

  • CAS No. 2052279-48-6
  • Cat. No. CS-0164739
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₈H₂₈N₆O₄
  • Molecular Weight 512.56
  • Synonym(s) None
  • SMILES C=C(C(N1C[C@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C52)CCC1)=O)CCC(O)=O

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   136.46
  • LogP   4.4523
  • H_Acceptors   8
  • H_Donors   2
  • Rotatable_Bonds   8

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