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5-(4-Bromophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

  • CAS No. 307512-24-9

  • Cat. No. CS-0060427
  • Purity≥97%
  • MDL No.None

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

5-(4-Bromophenyl)-3H-thieno[2,3-d]pyrimidin-4-one|CS-0060427

Structure of 307512-24-9

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General Information

  • CAS No. 307512-24-9
  • Cat. No. CS-0060427
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₇BrN₂OS
  • Molecular Weight 307.17
  • Synonym(s) 5-(4-Bromo-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
  • SMILES C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)O)Br

Synthesis

  • Route1

    References

    • Golub, Andriy G.; Bdzhola, Volodymyr G.; Briukhovetska, Nadiia V.; Balanda, Anatoliy O.; Kukharenko, Olexander P.; Kotey, Igor M.; Ostrynska, Olga V.; Yarmoluk, Sergiy M. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 3 p. 870 - 876
  • Route2

    References

    • Golub, Andriy G.; Bdzhola, Volodymyr G.; Briukhovetska, Nadiia V.; Balanda, Anatoliy O.; Kukharenko, Olexander P.; Kotey, Igor M.; Ostrynska, Olga V.; Yarmoluk, Sergiy M. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 3 p. 870 - 876

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   46.01
  • LogP   3.8264
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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