Mefloquine HCI

Name: Mefloquine HCI
SKU: PI51773923
Rating: 5 (1 reviews)

Catalog NumberPI51773923

CAS Number51773-92-3

CategoryAnti-Infection Intermediates

Product Details

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

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Other Identifiers

MDL Number

MFCD00797519

Computed Properties

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

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