N4-(3-Chloro-4-fluorophenyl)-7-methoxyquinazoline-4,6-diamine

Cat. No.: PI179552751

Product Details Other Identifiers Computed Properties

CAS	179552-75-1
Purity	97%
Molecular Formula	C15H12ClFN4O
Molecular Weight	318.73
Molar Refractivity	84.95

Pubchem ID	21847826
InChI Key	QRZFUQFQXCRJRR-UHFFFAOYSA-N
MDL Number	MFCD30342451

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	3
Topological Polar Surface Area	73.06 Å²
Heavy Atom Count	22
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.07
Log Po/w (iLOGP)	2.57
Log Po/w (XLOGP3)	3.43
Log Po/w (WLOGP)	4.18
Log Po/w (MLOGP)	2.85
Log Po/w (SILICOS-IT)	2.98
Consensus Log Po/w	3.2
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
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	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.42

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