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2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)benzoic acid

  • CAS No. 1245644-35-2

  • Cat. No. CS-0197971
  • Molecule weight342.41
  • Purity≥98%
  • MDL No.MFCD16877564

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

2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)benzoic acid|CS-0197971

Structure of 1245644-35-2

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General Information

  • CAS No. 1245644-35-2
  • Cat. No. CS-0197971
  • Purity ≥98%
  • MDL No. MFCD16877564
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₂N₂O₅S
  • Molecular Weight 342.41
  • Synonym(s) 2-Ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzoic acid
  • SMILES O=C(O)C1=CC(S(=O)(N2CCN(CC)CC2)=O)=CC=C1OCC

Description

This sulfonamide-containing benzoic acid integrates a 4-ethylpiperazinyl moiety for enhanced solubility and bioavailability, while the ethoxy group provides steric and electronic modulation. The molecule features a bench-stable, electron-deficient aryl core suitable for conjugation and derivatization in medicinal chemistry campaigns.

Application

2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and drug-like scaffolds. Its ethoxy and sulfonamide functionalities provide enhanced solubility and metabolic stability, while the carboxylic acid group facilitates amide coupling and derivatization under standard conditions. The molecule exhibits good bench stability and functional group tolerance, supporting efficient purification and integration into multi-step syntheses.

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   87.15
  • LogP   1.1097
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   6

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