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CS-W001157 4
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Ethyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate

  • CAS No. 154325-76-5

  • Cat. No. CS-M1698
  • Molecule weight488.08
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate|CS-M1698

Structure of 154325-76-5

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General Information

  • CAS No. 154325-76-5
  • Cat. No. CS-M1698
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₇H₃₄ClNO₃S
  • Molecular Weight 488.08
  • Synonym(s) 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-Methoxy-α,α-diMethyl-, ethyl ester
  • SMILES O=C(OCC)C(C)(C)CC(N1CC2=CC=C(Cl)C=C2)=C(SC(C)(C)C)C3=C1C=CC(OC)=C3

Synthesis

  • Route1

    References

    • AMIRA PHARMACEUTICALS, INC. Patent: WO2008/67566 A1, 2008 ; Location in patent: Page/Page column 99 ;
  • Route2

    References

    • Kolasa, Teodozyj; Bhatia, Pramila; Brooks, Clint D. W.; Hulkower, Keren I.; Bouska, Jennifer B.; Harris, Richard R.; Bell, Randy L. Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 3 p. 507 - 514
  • Route3

    References

    • Kolasa, Teodozyj; Bhatia, Pramila; Brooks, Clint D. W.; Hulkower, Keren I.; Bouska, Jennifer B.; Harris, Richard R.; Bell, Randy L. Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 3 p. 507 - 514

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

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   7.374
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   8

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