Benzo[b]thiophen-2-yl(5-bromo-2-fluorophenyl)methanol

Cat. No.: PI1034305117

Product Details Other Identifiers Computed Properties

CAS	1034305-11-7
Purity	97%
Molecular Formula	C15H10BrFOS
Molecular Weight	337.21
Molar Refractivity	80.1

Pubchem ID	59281673
InChI Key	BUUJMMYEBTVSHQ-UHFFFAOYSA-N
MDL Number	MFCD28347651

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	2
Topological Polar Surface Area	48.47 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	15
Fraction Csp3	0.07
Log Po/w (iLOGP)	3.11
Log Po/w (XLOGP3)	4.58
Log Po/w (WLOGP)	4.98
Log Po/w (MLOGP)	4.34
Log Po/w (SILICOS-IT)	5.83
Consensus Log Po/w	4.57
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.11 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.97

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