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CS-W001157 4
Total: USD 88.00

ADPRT-IN-1

  • CAS No. 109164-47-8

  • Cat. No. CS-0271691
  • Molecule weight278.33
  • Purity95+%
  • MDL No.MFCD00432638

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

ADPRT-IN-1|CS-0271691

Structure of 109164-47-8

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General Information

  • CAS No. 109164-47-8
  • Cat. No. CS-0271691
  • Purity 95+%
  • MDL No. MFCD00432638
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂O₃S
  • Molecular Weight 278.33
  • Synonym(s) None
  • SMILES C1CCC2=C(C1)C3=C(N=C(CCC(=O)O)N=C3S2)O

Synthesis

  • Route1
    • 4-((3-Carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobutanoic acid|CS-0548328
      109164-37-6
    • ~89%
    • ADPRT-IN-1|CS-0271691
      109164-47-8

    References

    • Pech; Schleiermachr; Bohm Pharmazie, 1989 , vol. 44, # 12 p. 860 - 861
  • Route2
    • 4-((3-(Ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobutanoic acid|CS-0315753
      62159-41-5
    • ~%
    • ADPRT-IN-1|CS-0271691
      109164-47-8

    References

    • Pech; Schleiermachr; Bohm Pharmazie, 1989 , vol. 44, # 12 p. 860 - 861
  • Route3

    References

    • Pech; Schleiermachr; Bohm Pharmazie, 1989 , vol. 44, # 12 p. 860 - 861

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   83.31
  • LogP   2.2929
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   3

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