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CS-W001157 4
Total: USD 88.00

Pentifylline

  • CAS No. 1028-33-7

  • Cat. No. CS-0318887
  • Purity≥98%
  • MDL No.MFCD00041424

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

Pentifylline|CS-0318887

Structure of 1028-33-7

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General Information

  • CAS No. 1028-33-7
  • Cat. No. CS-0318887
  • Purity ≥98%
  • MDL No. MFCD00041424
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₀N₄O₂
  • Molecular Weight 264.32
  • Synonym(s) 1-Hexyltheobromine; Hexyltheobromine
  • SMILES CCCCCCN1C(=O)C2=C(N=CN2C)N(C)C1=O

Synthesis

  • Route1
    • Theobromine Aminophylline  Impurity|CS-0228790
      83-67-0
    • ~87%
    • Pentifylline|CS-0318887
      1028-33-7

    References

    • Larsen, Aaron T.; May, Erin M.; Auclair, Karine Journal of the American Chemical Society, 2011 , vol. 133, # 20 p. 7853 - 7858
  • Route2
    • null|null
      111-25-1
    • ~%
    • Pentifylline|CS-0318887
      1028-33-7

    References

    • DE860217 , ; DRP/DRBP Org.Chem.
  • Route3
    • Theobromine Aminophylline  Impurity|CS-0228790
      83-67-0
    • null|null
      544-10-5
    • ~%
    • Pentifylline|CS-0318887
      1028-33-7

    References

    • DE860217 , ; DRP/DRBP Org.Chem.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   61.82
  • LogP   1.014
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   5

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