9-Bromo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

Cat. No.: PI1282516679

Product Details Other Identifiers Computed Properties

CAS	1282516-67-9
Purity	98%
Molecular Formula	C11H9BrN2O
Molecular Weight	265.11
Molar Refractivity	61.0

Pubchem ID	58204906
InChI Key	YFISESCRYOQTHO-UHFFFAOYSA-N
MDL Number	MFCD22372760

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	0
Topological Polar Surface Area	27.05 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	11
Fraction Csp3	0.18
Log Po/w (iLOGP)	2.4
Log Po/w (XLOGP3)	2.04
Log Po/w (WLOGP)	2.71
Log Po/w (MLOGP)	1.99
Log Po/w (SILICOS-IT)	2.45
Consensus Log Po/w	2.32
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.47 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	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.61

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