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CS-W001157 4
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Methyl 4-benzenesulfonamidobenzoate

  • CAS No. 107920-79-6

  • Cat. No. CS-0213351
  • Molecule weight291.32
  • Purity≥98%
  • MDL No.MFCD00591212

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

Methyl 4-benzenesulfonamidobenzoate|CS-0213351

Structure of 107920-79-6

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General Information

  • CAS No. 107920-79-6
  • Cat. No. CS-0213351
  • Purity ≥98%
  • MDL No. MFCD00591212
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃NO₄S
  • Molecular Weight 291.32
  • Synonym(s) Methyl 4-(phenylsulfonaMido)benzoate
  • SMILES COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2

Synthesis

  • Route1

    References

    • Wang, Xiang; Guram, Anil; Ronk, Michael; Milne, Jacqueline E.; Tedrow, Jason S.; Faul, Margaret M. Tetrahedron Letters, 2012 , vol. 53, # 1 p. 7 - 10
  • Route2

    References

    • Wydysh, Edward A.; Medghalchi, Susan M.; Vadlamudi, Aravinda; Townsendd, Craig A. Journal of Medicinal Chemistry, 2009 , vol. 52, # 10 p. 3317 - 3327
  • Route3
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~%
    • Methyl 4-benzenesulfonamidobenzoate|CS-0213351
      107920-79-6

    References

    • Lavoie; Bouchain; Frechette; Woo; Abou-Khalil; Leit; Fournel; Yan; Trachy-Bourget; Beaulieu; Li; Besterman; Delorme Bioorganic and medicinal chemistry letters, 2001 , vol. 11, # 21 p. 2847 - 2850

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   72.47
  • LogP   2.274
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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