(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine

Cat. No.: PI314771761

Product Details Other Identifiers Computed Properties

CAS	314771-76-1
Purity	98%
Molecular Formula	C18H16ClFN4O2
Molecular Weight	374.80
Molar Refractivity	98.34

Pubchem ID	15606392
InChI Key	BIQABKFYKJRXII-NSHDSACASA-N
MDL Number	MFCD18642925

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	4
Topological Polar Surface Area	82.29 Å²
Heavy Atom Count	26
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.22
Log Po/w (iLOGP)	2.9
Log Po/w (XLOGP3)	3.48
Log Po/w (WLOGP)	4.34
Log Po/w (MLOGP)	2.74
Log Po/w (SILICOS-IT)	3.26
Consensus Log Po/w	3.34
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.12 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	1.0
Synthetic Accessibility	3.29

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