CAS 1119451-55-6

3-[[6-(4-Methylphenyl)-3-pyridazinyl]amino]benzoic acid

Description:

3-[[6-(4-Methylphenyl)-3-pyridazinyl]amino]benzoic acid, identified by its CAS number 1119451-55-6, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a pyridazine ring. This compound features an amino group that connects the pyridazine to the benzoic acid, contributing to its potential biological activity. The presence of the 4-methylphenyl group enhances its lipophilicity, which may influence its interaction with biological targets. Typically, compounds of this nature are studied for their pharmacological properties, including anti-inflammatory or anticancer activities. The molecular structure suggests that it may participate in hydrogen bonding and π-π stacking interactions, which are crucial for its biological function. Additionally, the compound's solubility, stability, and reactivity can be influenced by the functional groups present, making it a subject of interest in medicinal chemistry and drug design. Further studies would be necessary to elucidate its specific properties and potential applications in therapeutic contexts.

Formula: C₁₈H₁₅N₃O₂

InChI: InChI=1S/C18H15N3O2/c1-12-5-7-13(8-6-12)16-9-10-17(21-20-16)19-15-4-2-3-14(11-15)18(22)23/h2-11H,1H3,(H,19,21)(H,22,23)

InChI key: InChIKey=ILPKJCCKFNAVJR-UHFFFAOYSA-N

SMILES: N(C1=CC=C(N=N1)C2=CC=C(C)C=C2)C3=CC(C(O)=O)=CC=C3

Synonyms:

• 3-[[6-(4-Methylphenyl)-3-pyridazinyl]amino]benzoic acid
• Benzoic acid, 3-[[6-(4-methylphenyl)-3-pyridazinyl]amino]-