CAS 898755-61-8

Ethyl 2-(1-azetidinylmethyl)-ζ-oxobenzeneheptanoate

Description:

Ethyl 2-(1-azetidinylmethyl)-ζ-oxobenzeneheptanoate, identified by its CAS number 898755-61-8, is a synthetic organic compound that features a complex structure incorporating an azetidine ring, an ester functional group, and a benzene derivative. This compound is characterized by its potential biological activity, which may include interactions with various biological targets due to the presence of the azetidine moiety, known for its role in medicinal chemistry. The ester group contributes to its solubility properties, making it potentially useful in pharmaceutical formulations. Additionally, the presence of the oxobenzene structure may impart unique electronic properties, influencing its reactivity and interactions. While specific physical properties such as melting point, boiling point, and solubility are not detailed here, compounds of this nature typically exhibit moderate to high lipophilicity, which can affect their bioavailability and pharmacokinetics. Overall, this compound represents a class of molecules that may have applications in drug development and other chemical research fields.

Formula: C₁₉H₂₇NO₃

InChI: InChI=1S/C19H27NO3/c1-2-23-19(22)12-5-3-4-11-18(21)17-10-7-6-9-16(17)15-20-13-8-14-20/h6-7,9-10H,2-5,8,11-15H2,1H3

InChI key: InChIKey=XOYHVBYKBWZVDU-UHFFFAOYSA-N

SMILES: C(CCCCCC(OCC)=O)(=O)C1=C(CN2CCC2)C=CC=C1

Synonyms:

• Benzeneheptanoic acid, 2-(1-azetidinylmethyl)-ζ-oxo-, ethyl ester
• Ethyl 2-(1-azetidinylmethyl)-ζ-oxobenzeneheptanoate