tert-Butyl (6-chloropyridin-2-yl)carbamate

Cat. No.: PI159603711

Product Details Other Identifiers Computed Properties

CAS	159603-71-1
Purity	97%
Molecular Formula	C10H13ClN2O2
Molecular Weight	228.68
Molar Refractivity	59.49

Pubchem ID	11253185
InChI Key	UEYNRRQJJHZENW-UHFFFAOYSA-N
MDL Number	MFCD09030821

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	51.22 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.4
Log Po/w (iLOGP)	2.33
Log Po/w (XLOGP3)	2.71
Log Po/w (WLOGP)	2.89
Log Po/w (MLOGP)	1.8
Log Po/w (SILICOS-IT)	1.78
Consensus Log Po/w	2.3
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.77 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	2.43

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