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CS-W001157 4
Total: USD 88.00

(3-Iodobenzoyl)glycine

  • CAS No. 52386-94-4

  • Cat. No. CS-0580800
  • Molecule weight305.07
  • Purity≥98%
  • MDL No.None

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

(3-Iodobenzoyl)glycine|CS-0580800

Structure of 52386-94-4

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General Information

  • CAS No. 52386-94-4
  • Cat. No. CS-0580800
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈INO₃
  • Molecular Weight 305.07
  • Synonym(s) m-Iodohippuric acid
  • SMILES C1=CC(=CC(=C1)I)C(=O)NCC(=O)O

Synthesis

  • Route1
    • null|null
      1711-10-0
    • Glycine, 99%|CS-1269057
      56-40-6
    • ~32%
    • (3-Iodobenzoyl)glycine|CS-0580800
      52386-94-4

    References

    • Arano, Yasushi; Wakisaka, Kouji; Ohmomo, Yoshiro; Uezono, Takashi; Mukai, Takahiro; et al. Journal of Medicinal Chemistry, 1994 , vol. 37, # 16 p. 2609 - 2618
  • Route2

    References

    • Arano, Yasushi; Wakisaka, Kouji; Ohmomo, Yoshiro; Uezono, Takashi; Mukai, Takahiro; et al. Journal of Medicinal Chemistry, 1994 , vol. 37, # 16 p. 2609 - 2618
  • Route3
    • (3-Aminobenzoyl)glycine|CS-0284132
      20938-64-1
    • ~%
    • (3-Iodobenzoyl)glycine|CS-0580800
      52386-94-4

    References

    • Griess Chemische Berichte, 1868 , vol. 1, p. 192 Chemische Berichte, 1870 , vol. 3, p. 703

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

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   1.1056
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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