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CS-W001157 4
Total: USD 88.00

3-(((2S,3R)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one Aprepitant impurity

  • CAS No. 1185502-97-9

  • Cat. No. CS-0979105
  • Purity≥98%
  • MDL No.MFCD08277635

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

3-(((2S,3R)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one Aprepitant impurity|CS-0979105

Structure of 1185502-97-9

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General Information

  • CAS No. 1185502-97-9
  • Cat. No. CS-0979105
  • Purity ≥98%
  • MDL No. MFCD08277635
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₂₁F₇N₄O₃
  • Molecular Weight 534.43
  • Synonym(s) None
  • SMILES C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@H](OCC2)[C@@H](C3=CC=C(C=C3)F)N2CC4=NNC(N4)=O

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+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   83.24
  • LogP   4.9521
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   6

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