tert-Butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate

Name: tert-Butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate
SKU: PI1083057140
Rating: 5 (1 reviews)

Cat. No.: PI1083057140

Product Details Other Identifiers Computed Properties

CAS	1083057-14-0
Purity	98%
Molecular Formula	C17H20N2O2
Molecular Weight	284.35
Molar Refractivity	84.78

Pubchem ID	45480517
InChI Key	RZGNTHQZYZRDDB-UHFFFAOYSA-N
MDL Number	MFCD16659611

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	65.21 Å²
Heavy Atom Count	21
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.29
Log Po/w (iLOGP)	2.92
Log Po/w (XLOGP3)	3.37
Log Po/w (WLOGP)	3.6
Log Po/w (MLOGP)	2.71
Log Po/w (SILICOS-IT)	3.44
Consensus Log Po/w	3.21
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.64 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	0.0
Synthetic Accessibility	2.75

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