(R)-3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine

Cat. No.: PI877397712

Product Details Other Identifiers Computed Properties

CAS	877397-71-2
Purity	min. 95%
Molecular Formula	C13H11Cl2FN2O
Molecular Weight	301.14
Molar Refractivity	74.41

Pubchem ID	49765905
InChI Key	IEKMAKBQCRKWLS-SSDOTTSWSA-N
MDL Number	MFCD18207060

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	3
Topological Polar Surface Area	48.14 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.15
Log Po/w (iLOGP)	2.49
Log Po/w (XLOGP3)	3.73
Log Po/w (WLOGP)	4.35
Log Po/w (MLOGP)	3.27
Log Po/w (SILICOS-IT)	3.98
Consensus Log Po/w	3.56
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.49 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	2.89

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