3-Amino-2-bromobenzotrifluoride

• Catalog: OFC58458109
• CAS: 58458-10-9
• Category: Fluorinated Aniline Series Products; Aromatic Fluorocarbons; Fluorinated Aromatic Amines and Anilines
• Synonyms: 2-BROMO-3-(TRIFLUOROMETHYL)ANILINE;2-BROMO-3-(TRIFLUOROMETHYL)BENZENAMINE;2-BROMO-3-(TRIFLUOROMETHYL)PHENYLAMINE;3-AMINO-2-BROMOBENZOTRIFLUORIDE
• Purity: NLT 98%
• MDL Number: MFCD01656033

• Molecular Formula: C7H5BrF3N
• Molecular Weight: 240.021
• Molar Refractivity: 43.55

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 1.0
• Veber: 0.0
• Consensus LogP: 2.99
• MLogP: 3.3
• SILICOS-IT: 2.81
• WLogP: 4.21
• XLogP3: 2.82
• iLogP: 1.82
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.76 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.14