CAS 898756-54-2

(2,5-Dichlorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]methanone

Description:

The chemical substance known as (2,5-Dichlorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]methanone, with the CAS number 898756-54-2, is a complex organic compound characterized by its unique structural features. It contains a dichlorophenyl group, which contributes to its potential reactivity and biological activity. The presence of a spirocyclic structure, specifically the 1,4-dioxa-8-azaspiro[4.5]decane moiety, suggests interesting conformational properties and may influence its interaction with biological targets. This compound is likely to exhibit moderate to high lipophilicity due to its aromatic and aliphatic components, which can affect its solubility and permeability in biological systems. Additionally, the presence of multiple functional groups may confer specific pharmacological properties, making it a candidate for further investigation in medicinal chemistry. Overall, the compound's intricate structure and potential biological implications warrant detailed studies to elucidate its properties and applications in various fields, including pharmaceuticals and materials science.

Formula: C₂₁H₂₁Cl₂NO₃

InChI: InChI=1S/C21H21Cl2NO3/c22-16-5-6-19(23)18(13-16)20(25)17-4-2-1-3-15(17)14-24-9-7-21(8-10-24)26-11-12-27-21/h1-6,13H,7-12,14H2

InChI key: InChIKey=QZCGEANXFUKISD-UHFFFAOYSA-N

SMILES: C(N1CCC2(CC1)OCCO2)C3=C(C(=O)C4=C(Cl)C=CC(Cl)=C4)C=CC=C3

Synonyms:

• Methanone, (2,5-dichlorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-
• (2,5-Dichlorophenyl)[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]methanone