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CS-W001157 4
Total: USD 88.00

4-Guanidinobenzoic acid

  • CAS No. 16060-65-4

  • Cat. No. CS-0185073
  • Purity≥98%
  • MDL No.None

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

4-Guanidinobenzoic acid|CS-0185073

Structure of 16060-65-4

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General Information

  • CAS No. 16060-65-4
  • Cat. No. CS-0185073
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉N₃O₂
  • Molecular Weight 179.18
  • Synonym(s) 4-guanidinobenzoate
  • SMILES O=C(O)C1=CC=C(NC(N)=N)C=C1

Description

4-Guanidinobenzoic acid features a para-guanidino group appended to a benzoic acid scaffold, delivering high solubility and strong hydrogen-bonding capacity. This combination enables effective integration into peptide conjugates and bioactive molecules, enhancing target affinity and stability under physiological conditions.

Application

4-Guanidinobenzoic acid serves as a versatile building block for bioactive molecule synthesis, enabling direct incorporation of both carboxylic acid and guanidine functionalities. Its stability under standard reaction conditions facilitates straightforward derivatization, including amide formation and salt selection for solubility optimization. The compound functions effectively in peptide conjugation and heterocycle construction, offering reliable performance in medicinal chemistry campaigns targeting kinase inhibitors and enzyme modulators.

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

Quality Control

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Computational Chemistry Data

  • TPSA   99.2
  • LogP   0.69017
  • H_Acceptors   2
  • H_Donors   4
  • Rotatable_Bonds   2

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