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

Name: Methyl 3-(benzyloxy)-5-((2,4-difluorobenzyl)carbamoyl)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate
SKU: PI1229006216
Rating: 5 (1 reviews)

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

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

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