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CS-W001157 4
Total: USD 88.00

4-Pentanamidobenzoic acid

  • CAS No. 100390-76-9

  • Cat. No. CS-0297338
  • Purity95+%
  • MDL No.None

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

4-Pentanamidobenzoic acid|CS-0297338

Structure of 100390-76-9

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General Information

  • CAS No. 100390-76-9
  • Cat. No. CS-0297338
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₃
  • Molecular Weight 221.25
  • Synonym(s) 4-(Pentanoylamino)benzoic acid
  • SMILES CCCCC(=O)NC1=CC=C(C=C1)C(=O)O

Synthesis

  • Route1
    • null|null
      127007-34-5
    • ~92%
    • 4-Pentanamidobenzoic acid|CS-0297338
      100390-76-9

    References

    • Journal of Medicinal Chemistry, , vol. 55, # 9 p. 4336 - 4351
  • Route2
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • null|null
      638-29-9
    • ~85%
    • 4-Pentanamidobenzoic acid|CS-0297338
      100390-76-9

    References

    • European Journal of Medicinal Chemistry, , vol. 30, # 7-8 p. 561 - 568
  • Route3
    • null|null
      638-29-9
    • ~%
    • 4-Pentanamidobenzoic acid|CS-0297338
      100390-76-9

    References

    • Journal of Medicinal Chemistry, , vol. 55, # 9 p. 4336 - 4351

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   2.5135
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   5

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