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CS-W001157 4
Total: USD 88.00

2-(3-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)propyl)malonic acid Biotin Impurity

  • CAS No. 57671-79-1

  • Cat. No. CS-0533222
  • Purity≥98%
  • MDL No.None

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

2-(3-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)propyl)malonic acid Biotin Impurity|CS-0533222

Structure of 57671-79-1

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General Information

  • CAS No. 57671-79-1
  • Cat. No. CS-0533222
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆N₂O₅S
  • Molecular Weight 288.32
  • Synonym(s) Biotin Diacid
  • SMILES OC(C(C(O)=O)CCC[C@H]1[C@]2([H])[C@@](CS1)([H])NC(N2)=O)=O

Synthesis

  • Route1
    • null|null
      59999-70-1
    • ~%
    • 2-(3-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)propyl)malonic acid Biotin Impurity|CS-0533222
      57671-79-1

    References

    • Journal of the American Chemical Society, , vol. 99, p. 7020 - 7026
  • Route2
    • null|null
      57671-73-5
    • ~%
    • 2-(3-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)propyl)malonic acid Biotin Impurity|CS-0533222
      57671-79-1

    References

    • Journal of the American Chemical Society, , vol. 99, p. 7020 - 7026
  • Route3
    • null|null
      57671-70-2
    • ~%
    • 2-(3-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)propyl)malonic acid Biotin Impurity|CS-0533222
      57671-79-1

    References

    • Journal of the American Chemical Society, , vol. 99, p. 7020 - 7026

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   115.73
  • LogP   0.1075
  • H_Acceptors   4
  • H_Donors   4
  • Rotatable_Bonds   6

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