Efinaconazole

Name: Efinaconazole
SKU: PI164650446
Rating: 5 (1 reviews)

Catalog NumberPI164650446

CAS Number164650-44-6

CategoryAntifungals Intermediates

Product Details

Synonyms	(2R,3R)-2-(2,4-Difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Purity	98%
Molecular Formula	C18H22F2N4O
Molecular Weight	348.39
Molar Refractivity	94.22

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Other Identifiers

Pubchem ID	489181
InChI Key	NFEZZTICAUWDHU-RDTXWAMCSA-N

Computed Properties

Aromatic Heavy Atoms Number	11
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	2.74
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.44
Ghose	None
GI Absorption	High
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.98 cm/s
Log Po/w (iLOGP)	3.13
Log Po/w (MLOGP)	2.8
Log Po/w (SILICOS-IT)	2.88
Log Po/w (WLOGP)	2.84
Log Po/w (XLOGP3)	2.04
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	5
Synthetic Accessibility	3.68
Topological Polar Surface Area	54.18 Å²
Veber	0.0

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