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CS-W001157 4
Total: USD 88.00

2-(4-Hydroxy-3-methoxyphenyl)-1h-1,3-benzodiazole-4-carboxylic acid

  • CAS No. 313278-98-7

  • Cat. No. CS-0127008
  • Molecule weight284.27
  • Purity≥98%
  • MDL No.MFCD08056166

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

2-(4-Hydroxy-3-methoxyphenyl)-1h-1,3-benzodiazole-4-carboxylic acid|CS-0127008

Structure of 313278-98-7

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General Information

  • CAS No. 313278-98-7
  • Cat. No. CS-0127008
  • Purity ≥98%
  • MDL No. MFCD08056166
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₂N₂O₄
  • Molecular Weight 284.27
  • Synonym(s) 2-(4-HYDROXY-3-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID
  • SMILES O=C(C1=C2N=C(C3=CC=C(O)C(OC)=C3)NC2=CC=C1)O

Synthesis

  • Route1

    References

    • White; Almassy; Calvert; Curtin; Griffin; Hostomsky; Maegley; Newell; Srinivasan; Golding Journal of Medicinal Chemistry, 2000 , vol. 43, # 22 p. 4084 - 4097
  • Route2
    • 2-Carbamoyl-3-nitrobenzoic acid|CS-0217028
      77326-45-5
    • ~%
    • 2-(4-Hydroxy-3-methoxyphenyl)-1h-1,3-benzodiazole-4-carboxylic acid|CS-0127008
      313278-98-7

    References

    • White; Almassy; Calvert; Curtin; Griffin; Hostomsky; Maegley; Newell; Srinivasan; Golding Journal of Medicinal Chemistry, 2000 , vol. 43, # 22 p. 4084 - 4097
  • Route3

    References

    • White; Almassy; Calvert; Curtin; Griffin; Hostomsky; Maegley; Newell; Srinivasan; Golding Journal of Medicinal Chemistry, 2000 , vol. 43, # 22 p. 4084 - 4097

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   95.44
  • LogP   2.6423
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   3

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