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CS-W001157 4
Total: USD 88.00

5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

  • CAS No. 330792-70-6

  • Cat. No. CS-M2596
  • Purity≥98%
  • MDL No.MFCD28137676

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

5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile|CS-M2596

Structure of 330792-70-6

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General Information

  • CAS No. 330792-70-6
  • Cat. No. CS-M2596
  • Purity ≥98%
  • MDL No. MFCD28137676
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₂N₄O
  • Molecular Weight None
  • Synonym(s) Zanubrutinib Related Compound 6
  • SMILES N#CC1=C(C2=CC=C(OC3=CC=CC=C3)C=C2)NN=C1N

Synthesis

  • Route1

    References

    • CENTAURUS BIOPHARMA CO., LTD.; HAN, Yongxin; YU, Rong; WANG, Zanping; LIANG, Zhi; HU, Quan; ZHU, Li; HU, Yuandong; SUN, Yinghui; ZHAO, Na; PENG, Yong; ZHAI, Xiaofeng; LUO, Hong; XIAO, Dengming Patent: WO2014/82598 A1, 2014 ; Location in patent: Paragraph 0379; 0378 ;
  • Route2
    • null|null
      1623-95-6
    • null|null
      109-77-3
    • ~17%
    • In-stock
      5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile|CS-M2596
      330792-70-6

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BENTZIEN, Joerg Martin; BERRY, Angela Kay; BOSANAC, Todd; BURKE, Michael Jason; DISALVO, Darren Todd; HORAN, Joshua Courtney; LIANG, Shuang; MAO, Can; MAO, Wang; SHEN, Yue; SOLEYMANZADEH, Fariba; ZINDELL, Renee M. Patent: US2014/45813 A1, 2014 ; Location in patent: Paragraph 0120 ;
  • Route3

    References

    • CENTAURUS BIOPHARMA CO., LTD.; HAN, Yongxin; YU, Rong; WANG, Zanping; LIANG, Zhi; HU, Quan; ZHU, Li; HU, Yuandong; SUN, Yinghui; ZHAO, Na; PENG, Yong; ZHAI, Xiaofeng; LUO, Hong; XIAO, Dengming Patent: WO2014/82598 A1, 2014 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   87.72
  • LogP   3.32288
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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