((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate

Name: ((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate
SKU: PI122111119
Rating: 5 (1 reviews)

Catalog NumberPI122111119

CAS Number122111-11-9

CategoryAntineoplastics Intermediates

((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate

Product Details

Purity	98%
Molecular Formula	C20H18F2O8S
Molecular Weight	456.41
Molar Refractivity	101.72

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Other Identifiers

MDL Number

MFCD08460089

Computed Properties

Aromatic Heavy Atoms Number	12
BBB Permeant	No
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	3.2
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.3
Ghose	None
GI Absorption	High
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	10.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.71 cm/s
Log Po/w (iLOGP)	3.63
Log Po/w (MLOGP)	2.61
Log Po/w (SILICOS-IT)	2.08
Log Po/w (WLOGP)	4.33
Log Po/w (XLOGP3)	3.34
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	9
Synthetic Accessibility	4.6
Topological Polar Surface Area	113.58 Å²
Veber	0.0

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