Fostamatinib disodium hexahydrate

Cat. No.: PI914295162

Product Details Other Identifiers Computed Properties

CAS	914295-16-2
Synonyms	Sodium (6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4-yl)amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)methyl phosphate hexahydrate
Purity	98%
Molecular Formula	C23H36FN6Na2O15P
Molecular Weight	732.51
Molar Refractivity	157.01

Pubchem ID	24828759
InChI Key	ZQGJCHHKJNSPMS-UHFFFAOYSA-L
MDL Number	MFCD19443649

Hydrogen Bond Donor Count	8.0
Hydrogen Bond Acceptor Count	19.0
Rotatable Bond Count	10
Topological Polar Surface Area	257.57 Å²
Heavy Atom Count	48
Aromatic Heavy Atoms Number	18
Fraction Csp3	0.3
Log Po/w (iLOGP)	-32.3
Log Po/w (XLOGP3)	-1.24
Log Po/w (WLOGP)	3.62
Log Po/w (MLOGP)	-4.0
Log Po/w (SILICOS-IT)	0.65
Consensus Log Po/w	-6.65
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-11.65 cm/s
Lipinski	3.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	4.0
Bioavailability Score	0.17
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	5.25

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