structure of 6-(3-oxo-1,2-benzothiazol-2-yl)hexanoic acid

6-(3-oxo-1,2-benzothiazol-2-yl)hexanoic acid

CAS No.: 1001349-48-9
M. Wt: 265.32800
M. Fa: C13H15NO3S
InChI Key: -

Names and Identifiers of 1001349-48-9

CAS Number

1001349-48-9

IUPAC Name

6-(3-oxidanylidene-1,2-benzothiazol-2-yl)hexanoic acid

Canonical SMILES

C1=CC=C2C(=C1)C(=O)N(S2)CCCCCC(=O)O

Physical and chemical properties of 1001349-48-9

Exact Mass

265.07700

LogP

2.70800

Molecular Formula

C13H15NO3S

Molecular Weight

265.32800

PSA

87.54000

Applications of 1001349-48-9

The applications of 6-(3-oxobenzo[d]isothiazol-2(3H)-yl)hexanoic acid are primarily in the fields of pharmaceuticals and agrochemicals. Its potential biological activities may allow it to serve as:

  • A lead compound for developing new antimicrobial or anticancer agents.
  • An intermediate in synthesizing more complex organic molecules.

Interaction Studies of 1001349-48-9

Interaction studies involving 6-(3-oxobenzo[d]isothiazol-2(3H)-yl)hexanoic acid may include:

  • Protein Binding Assays: To determine how well the compound interacts with biological macromolecules.
  • Enzyme Inhibition Studies: Assessing its potential as an inhibitor for specific enzymes related to disease pathways.

These studies help elucidate the mechanisms through which this compound may exert its biological effects.