(S)-Ethyl 2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate

Cat. No.: PI147770067

Product Details Other Identifiers Computed Properties

CAS	147770-06-7
Purity	95%
Molecular Formula	C29H40N2O4
Molecular Weight	480.64
Molar Refractivity	144.57

Pubchem ID	10648419
InChI Key	FTCMVLQJMIXDSI-VWLOTQADSA-N
MDL Number	MFCD22572587

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	13
Topological Polar Surface Area	67.87 Å²
Heavy Atom Count	35
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.52
Log Po/w (iLOGP)	4.96
Log Po/w (XLOGP3)	5.88
Log Po/w (WLOGP)	4.99
Log Po/w (MLOGP)	3.83
Log Po/w (SILICOS-IT)	6.09
Consensus Log Po/w	5.15
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.06 cm/s
Lipinski	0.0
Ghose	None
Veber	1.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	3.0
Synthetic Accessibility	4.2

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