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5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one methanesulfonate trihydrate(CAS: 199191-69-0)

5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one methanesulfonate trihydrate
CAS Number

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Basic Information

Molecular Formula
C22H31ClN4O7S2
Molecular Weight
563.1 g/mol

Chemical Identifiers

SMILES
CS(=O)(=O)O.C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.O.O
InChIKey
WLQZEFFFIUHSJB-UHFFFAOYSA-N

Database References

MDL Number
MFCD09838920

FAQ

5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one methanesulfonate trihydrate is a crystalline solid with a molecular weight of approximately 605.83 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol. The compound shows moderate reactivity towards bases and is stable under acidic conditions. It exhibits good stability under normal temperature and pressure conditions.
This compound is typically synthesized via multi-step organic reactions involving the coupling of piperazine derivatives with benzo[d]isothiazol-3-yl moieties. The synthesis involves the use of an appropriate catalyst and proceeds with high selectivity, yielding up to 90% of the desired product. The process requires careful temperature control and an inert atmosphere to prevent unwanted side reactions.
This compound is primarily used in the pharmaceutical industry for its potential in developing new drug candidates. It also has applications in the sensor and semiconductor industries, where its specific chemical properties make it suitable for specialized sensing devices and electronic components. Additionally, it may be used in polymer chemistry for the development of novel materials.
Handling this compound requires the use of appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated hood to avoid inhalation. Spills should be managed using appropriate absorbent materials and disposed of according to hazardous waste regulations. The Safety Data Sheet (SDS) for this compound should be consulted for detailed handling and storage information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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