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CS-W001157 4
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(R)-3-(7-cyano-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indolin-1-yl)propyl benzoate oxalate

  • CAS No. 885340-12-5

  • Cat. No. CS-B1289
  • Molecule weight671.66
  • Purity≥98%
  • MDL No.None

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

(R)-3-(7-cyano-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indolin-1-yl)propyl benzoate oxalate|CS-B1289

Structure of 885340-12-5

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General Information

  • CAS No. 885340-12-5
  • Cat. No. CS-B1289
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₄H₃₆F₃N₃O₈
  • Molecular Weight 671.66
  • Synonym(s) 1H-Indole-7-carbonitrile, 1-[3-(benzoyloxy)propyl]-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-, ethanedioate
  • SMILES N#CC1=CC(C[C@H](NCCOC2=CC=CC=C2OCC(F)(F)F)C)=CC3=C1N(CCCOC(C4=CC=CC=C4)=O)CC3.O=C(O)C(O)=O

Synthesis

  • Route1
    • null|null
      885340-11-4
    • In-stock
      Oxalic acid, 99%|CS-0013716
      144-62-7
    • ~%
    • In-stock
      (R)-3-(7-cyano-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indolin-1-yl)propyl benzoate oxalate|CS-B1289
      885340-12-5

    References

    • WO2006/46499 A1, ; Page/Page column 11-12 ;

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   158.42
  • LogP   4.86418
  • H_Acceptors   9
  • H_Donors   3
  • Rotatable_Bonds   14

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