For research use only. Not for therapeutic Use.
2-[2-(4-Chlorophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one(CAT: I040487) is a synthetic benzothiazolone derivative featuring a 4-chlorophenyl-substituted ketoethyl side chain. The compound contains a sulfone-functionalized benzothiazole ring, known for its chemical stability and biological relevance, making it a useful scaffold in medicinal chemistry. Its electrophilic ketone and aromatic chlorine substitution offer potential for interaction with biological targets such as enzymes or receptors involved in inflammation, cancer, or microbial activity. This compound is suitable for structure–activity relationship (SAR) studies, lead optimization, and intermediate synthesis. Supplied in high purity, it supports pharmaceutical research, bioactive compound development, and heterocyclic compound exploration in synthetic organic chemistry.
CAS Number | 41335-62-0 |
Synonyms | 2-[2-(4-chlorophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one |
Molecular Formula | C15H10ClNO4S |
Purity | ≥95% |
IUPAC Name | 2-[2-(4-chlorophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one |
InChI | InChI=1S/C15H10ClNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2 |
InChIKey | CHHZAPPFOCEMTR-UHFFFAOYSA-N |
SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC=C(C=C3)Cl |
Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |