Raltegravir potassium

Name: Raltegravir potassium
SKU: PI871038721
Rating: 5 (1 reviews)

Cat. No.: PI871038721

Product Details Other Identifiers Computed Properties

CAS	871038-72-1
Synonyms	Potassium 4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-olate
Purity	min. 98%
Molecular Formula	C20H20FKN6O5
Molecular Weight	482.51
Molar Refractivity	107.13

Pubchem ID	23668479
InChI Key	IFUKBHBISRAZTF-UHFFFAOYSA-M

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	9.0
Rotatable Bond Count	8
Topological Polar Surface Area	155.07 Å²
Heavy Atom Count	33
Aromatic Heavy Atoms Number	17
Fraction Csp3	0.3
Log Po/w (iLOGP)	-9.46
Log Po/w (XLOGP3)	1.1
Log Po/w (WLOGP)	1.51
Log Po/w (MLOGP)	0.62
Log Po/w (SILICOS-IT)	1.81
Consensus Log Po/w	-0.88
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-8.46 cm/s
Lipinski	1.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	3.51

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