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

Name: (2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol methanesulfonate
SKU: PI1175536501
Rating: 5 (1 reviews)

Cat. No.: PI1175536501

Product Details Other Identifiers Computed Properties

CAS	1175536-50-1
Purity	97%
Molecular Formula	C13H17F2N3O5S
Molecular Weight	365.35
Molar Refractivity	79.77

Pubchem ID	112500554
InChI Key	RWPFLARVZWFRBO-DAIXLEOSSA-N
MDL Number	MFCD28964178

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	9.0
Rotatable Bond Count	4
Topological Polar Surface Area	133.92 Å²
Heavy Atom Count	24
Aromatic Heavy Atoms Number	11
Fraction Csp3	0.38
Log Po/w (iLOGP)	1.42
Log Po/w (XLOGP3)	-0.5
Log Po/w (WLOGP)	2.14
Log Po/w (MLOGP)	0.73
Log Po/w (SILICOS-IT)	1.44
Consensus Log Po/w	1.05
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-8.88 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	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	3.49

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