2-Deoxy-2-fluoro-alpha-D-arabinofuranosyl bromide 3,5-dibenzoate

Cat. No.: PI97614443

Product Details Other Identifiers Computed Properties

CAS	97614-44-3
Purity	98%
Molecular Formula	C19H16BrFO5
Molecular Weight	423.23
Molar Refractivity	94.64

Pubchem ID	11189404
InChI Key	YYVZPZJEMLBIGM-TWMKSMIVSA-N
MDL Number	MFCD15144963

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	7
Topological Polar Surface Area	61.83 Å²
Heavy Atom Count	26
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.26
Log Po/w (iLOGP)	3.27
Log Po/w (XLOGP3)	4.42
Log Po/w (WLOGP)	3.95
Log Po/w (MLOGP)	3.13
Log Po/w (SILICOS-IT)	3.42
Consensus Log Po/w	3.64
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.74 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	2.0 alert
Leadlikeness	2.0
Synthetic Accessibility	4.42

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