(S)-1-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-2-phenylbut-3-en-2-amine fumarate

Cat. No.: PI1214741146

Product Details Other Identifiers Computed Properties

CAS	1214741-14-6
Purity	97%
Molecular Formula	C24H23F6NO5
Molecular Weight	519.43
Molar Refractivity	117.55

MDL Number

MFCD29059866

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	12.0
Rotatable Bond Count	10
Topological Polar Surface Area	109.85 Å²
Heavy Atom Count	36
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.25
Log Po/w (iLOGP)	3.99
Log Po/w (XLOGP3)	2.24
Log Po/w (WLOGP)	7.43
Log Po/w (MLOGP)	3.82
Log Po/w (SILICOS-IT)	6.1
Consensus Log Po/w	4.71
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-7.88 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	1.0
Muegge	1.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	2.0
Synthetic Accessibility	4.34

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