CAS 406205-74-1: 3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonate

Description: 3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonate, identified by its CAS number 406205-74-1, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple functional groups. This compound features a phenoxy group, which contributes to its potential as a versatile building block in organic synthesis. The presence of trifluoromethyl groups enhances its lipophilicity and may impart unique electronic properties, making it useful in various applications, including pharmaceuticals and agrochemicals. The cyano group introduces a polar character, potentially influencing solubility and reactivity. Additionally, the sulfonate moiety can enhance the compound's water solubility and reactivity in nucleophilic substitution reactions. Overall, this compound's unique combination of functional groups suggests it may exhibit interesting chemical behavior and biological activity, warranting further investigation in research and development contexts. Safety data and handling precautions should be considered due to the presence of fluorinated groups, which can pose environmental and health risks.

Formula: C₁₈H₁₃F₆NO₄S

InChI: InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2

InChI key: InChIKey=LWUSZIVDPJPVBW-UHFFFAOYSA-N

SMILES: N#CC=1C(OC2=CC=CC(OS(=O)(=O)CCCC(F)(F)F)=C2)=CC=CC1C(F)(F)F

Synonyms:

• 1-Butanesulfonic acid, 4,4,4-trifluoro-, 3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl ester
• 3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonate
• Bay 59-3074
• Bay 593074
• 3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluorobutane-1-sulfonate

BAY 59-3074

CAS: 406205-74-1

• Formula: C₁₈H₁₃F₆NO₄S
• Purity: 98%
• Molecular weight: 453.3555391999999

3-(2-Cyano-3-(Trifluoromethyl)Phenoxy)Phenyl 4,4,4-Trifluorobutane-1-Sulfonate

CAS: 406205-74-1

• Purity: 98%
• Molecular weight: 453.36g/mol

Bay 59-3074

CAS: 406205-74-1

• Purity: 97.68%
• Molecular weight: 453.36g/mol

Bay 59-3074

CAS: 406205-74-1

Bay 59-3074 is a CB1/CB2 receptor partial agonist (Ki: 48.3/45.5 nM).

• Formula: C₁₈H₁₃F₆NO₄S
• Purity: 97.68% - 99.69%
• Color and Shape: Solid
• Molecular weight: 453.36

Bay 59-3074

CAS: 406205-74-1

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• Formula: C₁₈H₁₃F₆NO₄S
• Purity: Min. 95%
• Molecular weight: 453.35 g/mol