(2R,3R,4R,5R)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate

Cat. No.: PI817204323

Product Details Other Identifiers Computed Properties

CAS	817204-32-3
Purity	97%
Molecular Formula	C31H26FN3O7
Molecular Weight	571.55
Molar Refractivity	148.67

Pubchem ID	11330583
InChI Key	MXEQSUUFNWPUJH-RDWHIKKYSA-N
MDL Number	MFCD23106344

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	9.0
Rotatable Bond Count	11
Topological Polar Surface Area	125.82 Å²
Heavy Atom Count	42
Aromatic Heavy Atoms Number	24
Fraction Csp3	0.19
Log Po/w (iLOGP)	2.94
Log Po/w (XLOGP3)	4.34
Log Po/w (WLOGP)	4.11
Log Po/w (MLOGP)	3.31
Log Po/w (SILICOS-IT)	3.54
Consensus Log Po/w	3.65
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.71 cm/s
Lipinski	1.0
Ghose	None
Veber	1.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	3.0
Synthetic Accessibility	5.28

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