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CS-W001157 4
Total: USD 88.00

1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole

  • CAS No. 198480-21-6

  • Cat. No. CS-0020959
  • Molecule weight650.85
  • Purity≥98%
  • MDL No.MFCD09833278

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

1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole|CS-0020959

Structure of 198480-21-6

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General Information

  • CAS No. 198480-21-6
  • Cat. No. CS-0020959
  • Purity ≥98%
  • MDL No. MFCD09833278
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₄H₄₆N₂O₃
  • Molecular Weight 650.85
  • Synonym(s) 1-(4-(2-(Azepan-1-yl)ethoxy)benzyl)-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole
  • SMILES CC1=C(C2=CC=C(OCC3=CC=CC=C3)C=C2)N(CC4=CC=C(OCCN5CCCCCC5)C=C4)C6=C1C=C(OCC7=CC=CC=C7)C=C6

Synthesis

  • Route1

    References

    • Jirman, Josef; Richter, Jindrich Patent: US2010/240888 A1, 2010 ; Location in patent: Page/Page column 3 ;
  • Route2
    • null|null
      1343413-18-2
    • ~89%
    • In-stock
      1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole|CS-0020959
      198480-21-6

    References

    • DIVI'S LABORATORIES LIMITED Patent: US2012/330008 A1, 2012 ; Location in patent: Page/Page column 9 ;
  • Route3
    • null|null
      111-49-9
    • null|null
      1343413-11-5
    • ~95%
    • In-stock
      1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole|CS-0020959
      198480-21-6

    References

    • DIVI'S LABORATORIES LIMITED Patent: US2012/330008 A1, 2012 ; Location in patent: Page/Page column 9 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   35.86
  • LogP   10.0778
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   13

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