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CS-W001157 4
Total: USD 88.00

3-(1-Benzyl-1H-indol-3-yl)propanoic acid

  • CAS No. 141071-79-6

  • Cat. No. CS-0337366
  • Purity98+%
  • MDL No.MFCD03830273

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

3-(1-Benzyl-1H-indol-3-yl)propanoic acid|CS-0337366

Structure of 141071-79-6

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General Information

  • CAS No. 141071-79-6
  • Cat. No. CS-0337366
  • Purity 98+%
  • MDL No. MFCD03830273
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₇NO₂
  • Molecular Weight 279.33
  • Synonym(s) 3-(1-Benzyl-1H-indol-3-yl)-propionic acid
  • SMILES C1=CC=C(C=C1)CN2C=C(CCC(=O)O)C3=CC=CC=C32

Synthesis

  • Route1

    References

    • Asgatay, Saaidia; Champion, Christine; Marloie, Gael; Drujon, Thierry; Senamaud-Beaufort, Catherine; Ceccaldi, Alexandre; Erdmann, Alexandre; Rajavelu, Arumugam; Schambel, Philippe; Jeltsch, Albert; Lequin, Olivier; Karoyan, Philippe; Arimondo, Paola B.; Guianvarc'H, Dominique Journal of Medicinal Chemistry, 2014 , vol. 57, # 2 p. 421 - 434
  • Route2
    • null|null
      100-39-0
    • 2-(1H-Indol-3-yl)propanoic acid|CS-1675342
      2597-26-4
    • ~81%
    • 3-(1-Benzyl-1H-indol-3-yl)propanoic acid|CS-0337366
      141071-79-6

    References

    • Sankyo Company, Limited Patent: US5877199 A1, 1999 ;
  • Route3

    References

    • Bristol-Myers Squibb Co. Patent: US5077293 A1, 1991 ;

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   42.23
  • LogP   3.7068
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   5

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