CAS 898783-40-9

ethyl 7-oxo-7-[4-(thiomorpholinomethyl)phenyl]heptanoate

Description:

Ethyl 7-oxo-7-[4-(thiomorpholinomethyl)phenyl]heptanoate, identified by its CAS number 898783-40-9, is a synthetic organic compound characterized by its complex molecular structure. It features a heptanoate backbone, which is a seven-carbon chain with a ketone functional group at the 7-position, contributing to its reactivity and potential biological activity. The presence of the ethyl ester group enhances its solubility in organic solvents, making it suitable for various applications in medicinal chemistry. Additionally, the compound contains a thiomorpholine moiety, which introduces a sulfur atom into the structure, potentially influencing its pharmacological properties and interactions with biological targets. The aromatic phenyl group attached to the thiomorpholine adds to the compound's lipophilicity, which may affect its permeability and bioavailability. Overall, this compound's unique combination of functional groups suggests potential utility in drug development, particularly in the design of therapeutics targeting specific biological pathways. However, detailed studies would be necessary to fully elucidate its properties and applications.

Formula: C₂₀H₂₉NO₃S

InChI: InChI=1/C20H29NO3S/c1-2-24-20(23)7-5-3-4-6-19(22)18-10-8-17(9-11-18)16-21-12-14-25-15-13-21/h8-11H,2-7,12-16H2,1H3

SMILES: CCOC(=O)CCCCCC(=O)c1ccc(cc1)CN1CCSCC1