4-((4-Bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-ol

Cat. No.: PI196603960

Product Details Other Identifiers Computed Properties

CAS	196603-96-0
Purity	98%
Molecular Formula	C15H11BrFN3O2
Molecular Weight	364.17
Molar Refractivity	85.25

Pubchem ID	135503852
InChI Key	XIHOMGRMQWNHHB-UHFFFAOYSA-N
MDL Number	MFCD09955370

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	3
Topological Polar Surface Area	67.27 Å²
Heavy Atom Count	22
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.07
Log Po/w (iLOGP)	2.73
Log Po/w (XLOGP3)	3.82
Log Po/w (WLOGP)	4.41
Log Po/w (MLOGP)	2.7
Log Po/w (SILICOS-IT)	3.26
Consensus Log Po/w	3.38
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.81 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	2.0
Synthetic Accessibility	2.57

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