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CS-W001157 4
Total: USD 88.00

Benzotript

  • CAS No. 39544-74-6

  • Cat. No. CS-0081358
  • Molecule weight342.78
  • Purity≥98%
  • MDL No.None

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

Benzotript|CS-0081358

Structure of 39544-74-6

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General Information

  • CAS No. 39544-74-6
  • Cat. No. CS-0081358
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₅ClN₂O₃
  • Molecular Weight 342.78
  • Synonym(s) Benzotriptum
  • SMILES O=C([C@@H](NC(C1=CC=C(C=C1)Cl)=O)CC2=CNC3=C2C=CC=C3)O

Synthesis

  • Route1
    • 4-Chlorobenzoic acid Bezafibrate Impurity|CS-0229800
      74-11-3
    • ~%
    • Benzotript|CS-0081358
      39544-74-6

    References

    • Burdick, Daniel J.; Marsters Jr., James C.; Aliagas-Martin, Ignacio; Stanley, Mark; Beresini, Maureen; Clark, Kevin; McDowell, Robert S.; Gadek, Thomas R. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 9 p. 2055 - 2059
  • Route2

    References

    • Hwang, Tsong-Long; Hung, Chih-Hao; Hsu, Ching-Yun; Huang, Yin-Ting; Tsai, Yu-Chi; Hsieh, Pei-Wen Organic and Biomolecular Chemistry, 2013 , vol. 11, # 22 p. 3742 - 3755

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-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   82.19
  • LogP   3.247
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   5

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