CAS 58012-16-1

1-(4-Fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one

Description:

1-(4-Fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one, with the CAS number 58012-16-1, is a chemical compound characterized by its unique spirocyclic structure, which includes a triazole moiety and a fluorophenyl group. This compound typically exhibits a complex three-dimensional arrangement due to the spiro configuration, which can influence its biological activity and interactions. The presence of the fluorine atom on the phenyl ring can enhance lipophilicity and potentially alter the compound's pharmacokinetic properties. Additionally, the triazole ring contributes to the compound's stability and may participate in hydrogen bonding, affecting solubility and reactivity. Such compounds are often of interest in medicinal chemistry for their potential therapeutic applications, particularly in the development of pharmaceuticals targeting various biological pathways. The specific properties, such as melting point, solubility, and reactivity, would depend on the compound's environment and the presence of other functional groups. Overall, this compound represents a class of heterocyclic compounds that are valuable in research and drug development.

Formula: C₁₃H₁₆FN₃O

InChI: InChI=1S/C13H16FN3O/c14-10-1-3-11(4-2-10)17-9-16-12(18)13(17)5-7-15-8-6-13/h1-4,15H,5-9H2,(H,16,18)

InChI key: InChIKey=BEEPXSBZGLKIOT-UHFFFAOYSA-N

SMILES: O=C1C2(N(CN1)C3=CC=C(F)C=C3)CCNCC2

Synonyms:

• 1-(4-Fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
• 1,3,8-Triazaspiro[4.5]decan-4-one, 1-(4-fluorophenyl)-
• 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4,5)decan-4-one

1-(4-fluorophenyl)-1,3,8-triazaspiro[4,5]decan-4-one

CAS: 58012-16-1

Formula: C₁₃H₁₆FN₃O

Purity: 95%

Color and Shape: Solid

Molecular weight: 249.2840

Ref: IN-DA00EF68

1-(4-Fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one

CAS: 58012-16-1

Purity: 97.0%

Color and Shape: Solid

Molecular weight: 249.28900146484375

Ref: 10-F301359

1-(4-Fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one

Controlled Product

CAS: 58012-16-1

Applications 1-(4-Fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one, is the derivative of Fluspirilene (F599800), which is a diphenylbutylpiperidine antipsychotic drug, used for the treatment of schizophrenia.
References Janssen, P.A.J., et al.: Arzneim.-Forsch., 20, 1689 (1970), Cox, D., et al.: J. Cardiovasc. Pharmacol., 21, 595 (1993), Toenjes, K., et al.: Antimicrob. Agents Chemother., 49, 963 (2005),,Agarwal, V., et al.: J. Biotechnol., 136, S451 (2008),

Formula: C₁₃H₁₆FN₃O

Color and Shape: Neat

Molecular weight: 249.284

Ref: TR-F588570