Methyl 3-(benzyloxy)-5-((2,4-difluorobenzyl)carbamoyl)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate

Cat. No.: PI1229006216

Product Details Other Identifiers Computed Properties

CAS	1229006-21-6
Purity	97%
Molecular Formula	C26H26F2N2O7
Molecular Weight	516.49
Molar Refractivity	128.21

Pubchem ID	49765957
InChI Key	MKGWUEHHJABKDI-UHFFFAOYSA-N
MDL Number	MFCD29072795

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	9.0
Rotatable Bond Count	13
Topological Polar Surface Area	105.09 Å²
Heavy Atom Count	37
Aromatic Heavy Atoms Number	18
Fraction Csp3	0.27
Log Po/w (iLOGP)	3.82
Log Po/w (XLOGP3)	3.62
Log Po/w (WLOGP)	3.58
Log Po/w (MLOGP)	1.72
Log Po/w (SILICOS-IT)	4.57
Consensus Log Po/w	3.46
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.88 cm/s
Lipinski	1.0
Ghose	None
Veber	1.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	3.0
Synthetic Accessibility	3.95

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