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CS-W001157 4
Total: USD 88.00

2-(4-Chlorophenyl)-4-methylthiazole-5-carboxylic acid

  • CAS No. 54001-17-1

  • Cat. No. CS-0453501
  • Molecule weight253.70
  • Purity≥98%
  • MDL No.None

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

2-(4-Chlorophenyl)-4-methylthiazole-5-carboxylic acid|CS-0453501

Structure of 54001-17-1

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General Information

  • CAS No. 54001-17-1
  • Cat. No. CS-0453501
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈ClNO₂S
  • Molecular Weight 253.70
  • Synonym(s) 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic Acid
  • SMILES CC1=C(C(=O)O)SC(=N1)C2=CC=C(C=C2)Cl

Synthesis

  • Route1
    • Ethyl 2-(4-chlorophenyl)-4-methylthiazole-5-carboxylate|CS-0298821
      54001-12-6
    • ~94%
    • 2-(4-Chlorophenyl)-4-methylthiazole-5-carboxylic acid|CS-0453501
      54001-17-1

    References

    • Journal of Medicinal Chemistry, , vol. 50, # 4 p. 685 - 695
  • Route2
    • Methyl 2-(4-chlorophenyl)-4-methylthiazole-5-carboxylate|CS-0279522
      337924-65-9
    • ~80%
    • 2-(4-Chlorophenyl)-4-methylthiazole-5-carboxylic acid|CS-0453501
      54001-17-1

    References

    • Journal of Medicinal Chemistry, , vol. 51, # 15 p. 4660 - 4671
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 50, # 4 p. 685 - 695

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-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   3.47012
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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