(2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol

Cat. No.: PI133775254

Product Details Other Identifiers Computed Properties

CAS	133775-25-4
Purity	97%
Molecular Formula	C12H13F2N3O2
Molecular Weight	269.25
Molar Refractivity	62.31

Pubchem ID	10286074
InChI Key	LSCNANBNVFQJDJ-PRHODGIISA-N
MDL Number	MFCD28902278

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	4
Topological Polar Surface Area	71.17 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	11
Fraction Csp3	0.33
Log Po/w (iLOGP)	1.98
Log Po/w (XLOGP3)	0.39
Log Po/w (WLOGP)	1.56
Log Po/w (MLOGP)	1.4
Log Po/w (SILICOS-IT)	1.44
Consensus Log Po/w	1.35
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.67 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	3.12

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