Mefloquine HCI

Cat. No.: PI51773923

Product Details Other Identifiers Computed Properties

CAS	51773-92-3
Synonyms	rel-(S)-(2,8-Bis(trifluoromethyl)quinolin-4-yl)((R)-piperidin-2-yl)methanol hydrochloride
Purity	99%
Molecular Formula	C17H17ClF6N2O
Molecular Weight	414.77
Molar Refractivity	93.48

MDL Number

MFCD00797519

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	9.0
Rotatable Bond Count	4
Topological Polar Surface Area	45.15 Å²
Heavy Atom Count	27
Aromatic Heavy Atoms Number	10
Fraction Csp3	0.47
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	4.43
Log Po/w (WLOGP)	6.85
Log Po/w (MLOGP)	3.65
Log Po/w (SILICOS-IT)	4.8
Consensus Log Po/w	3.95
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.68 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	1.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	3.33

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