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CS-W001157 4
Total: USD 88.00

3-(7-Cyano-5-(2-nitropropyl)indolin-1-yl)propyl benzoate

  • CAS No. 350797-56-7

  • Cat. No. CS-0154055
  • Purity≥97%
  • MDL No.MFCD17169997

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

3-(7-Cyano-5-(2-nitropropyl)indolin-1-yl)propyl benzoate|CS-0154055

Structure of 350797-56-7

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General Information

  • CAS No. 350797-56-7
  • Cat. No. CS-0154055
  • Purity ≥97%
  • MDL No. MFCD17169997
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₂H₂₃N₃O₄
  • Molecular Weight 393.44
  • Synonym(s) 3-[7-Cyano-5-(2-nitropropyl)-2,3-dihydro-1H-indol-1-yl]propyl benzoate
  • SMILES CC(CC1=CC2=C(C(=C1)C#N)N(CCCOC(=O)C3=CC=CC=C3)CC2)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      350797-55-6
    • ~%
    • In-stock
      3-(7-Cyano-5-(2-nitropropyl)indolin-1-yl)propyl benzoate|CS-0154055
      350797-56-7

    References

    • SANDOZ AG; KUMAR LUTHRA, Parven; BHUTA, Sachin; ABHINAY, Chandrakant Pise; DATTATRAYA, N., Chavan; SHASHIKANT, D., Metkar Patent: WO2013/56842 A1, 2013 ; Location in patent: Page/Page column 19 ;
  • Route2

    References

    • SANDOZ AG; KUMAR LUTHRA, Parven; BHUTA, Sachin; ABHINAY, Chandrakant Pise; DATTATRAYA, N., Chavan; SHASHIKANT, D., Metkar Patent: WO2013/56842 A1, 2013 ;
  • Route3

    References

    • SANDOZ AG; KUMAR LUTHRA, Parven; BHUTA, Sachin; ABHINAY, Chandrakant Pise; DATTATRAYA, N., Chavan; SHASHIKANT, D., Metkar Patent: WO2013/56842 A1, 2013 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   96.47
  • LogP   3.37558
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   8

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