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CS-W001157 4
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2-(2-Chloroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • CAS No. 20886-87-7

  • Cat. No. CS-0307655
  • Molecule weight272.75
  • Purity95+%
  • MDL No.None

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

2-(2-Chloroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|CS-0307655

Structure of 20886-87-7

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General Information

  • CAS No. 20886-87-7
  • Cat. No. CS-0307655
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃ClN₂O₂S
  • Molecular Weight 272.75
  • Synonym(s) 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amide
  • SMILES ClCC(NC=1SC2=C(C1C(N)=O)CCCC2)=O

Synthesis

  • Route1

    References

    • PROTEOSTASIS THERAPEUTICS, INC.; CHAMBERS, Robert, J.; FOLEY, Megan; TAIT, Bradley Patent: WO2013/112651 A2, 2013 ; Location in patent: Page/Page column 64 ;
  • Route2

    References

    • Ismail, Mohamed M.; Kamel, Mona M.; Mohamed, Lamia W.; Faggal, Samar I.; Galal, Mai A. Molecules, 2012 , vol. 17, # 6 p. 7217 - 7231
  • Route3
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    • 2-(2-Chloroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|CS-0307655
      20886-87-7

    References

    • Ismail, Mohamed M.; Kamel, Mona M.; Mohamed, Lamia W.; Faggal, Samar I.; Galal, Mai A. Molecules, 2012 , vol. 17, # 6 p. 7217 - 7231

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   72.19
  • LogP   1.9031
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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