CAS 646456-06-6: 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-4-[(4-pentylphenyl)sulfonyl]-1H-1,4-diazepine

Description: 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-4-[(4-pentylphenyl)sulfonyl]-1H-1,4-diazepine is a complex organic compound characterized by its unique structural features, including a diazepine ring and a pyridine moiety. The presence of a chloro group and a trifluoromethyl group on the pyridine ring contributes to its chemical reactivity and potential biological activity. The hexahydro structure indicates that the compound contains a saturated cyclic component, which may influence its conformational flexibility. Additionally, the sulfonyl group attached to a pentylphenyl substituent enhances its lipophilicity, potentially affecting its solubility and interaction with biological membranes. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry, particularly in the development of therapeutic agents. Its specific interactions and effects would depend on the overall molecular conformation and the presence of functional groups that can engage in hydrogen bonding or other intermolecular interactions. As with many complex organic compounds, careful consideration of its synthesis, stability, and reactivity is essential for practical applications.

Formula: C₂₂H₂₇ClF₃N₃O₂S

InChI: InChI=1S/C22H27ClF3N3O2S/c1-2-3-4-6-17-7-9-19(10-8-17)32(30,31)29-12-5-11-28(13-14-29)21-20(23)15-18(16-27-21)22(24,25)26/h7-10,15-16H,2-6,11-14H2,1H3

InChI key: InChIKey=SPCJTLICVCBRFV-UHFFFAOYSA-N

SMILES: O=S(=O)(C1=CC=C(C=C1)CCCCC)N2CCN(C3=NC=C(C=C3Cl)C(F)(F)F)CCC2

Synonyms:

• 1H-1,4-Diazepine, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-4-[(4-pentylphenyl)sulfonyl]-
• 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-4-[(4-pentylphenyl)sulfonyl]-1H-1,4-diazepine

1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-{[4-(pent-1-yl)phenyl]sulphonyl}homopiperazine

CAS: 646456-06-6

• Color and Shape: Powder
• Molecular weight: 489.98g/mol

1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-{[4-(pent-1-yl)phenyl]sulphonyl}homopiperazine

CAS: 646456-06-6

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• Formula: C₂₂H₂₇ClF₃N₃O₂S
• Purity: Min. 95%
• Molecular weight: 490 g/mol