R406 free base

Name: R406 free base
SKU: PI841290800
Rating: 5 (1 reviews)

Catalog NumberPI841290800

CAS Number841290-80-0

CategoryBlood Products Intermediates

Product Details

Synonyms	6-[5-Fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
Purity	98%
Molecular Formula	C22H23FN6O5
Molecular Weight	470.45
Molar Refractivity	124.82

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Other Identifiers

Pubchem ID	11213558
InChI Key	NHHQJBCNYHBUSI-UHFFFAOYSA-N
MDL Number	MFCD09970820

Computed Properties

Aromatic Heavy Atoms Number	18
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.78
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.27
Ghose	None
GI Absorption	High
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	9.0
Hydrogen Bond Donor Count	3.0
Leadlikeness	1.0
Lipinski	1.0
Log Kp (Skin Permeation)	-6.96 cm/s
Log Po/w (iLOGP)	3.3
Log Po/w (MLOGP)	1.56
Log Po/w (SILICOS-IT)	2.46
Log Po/w (WLOGP)	3.48
Log Po/w (XLOGP3)	3.11
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	7
Synthetic Accessibility	3.86
Topological Polar Surface Area	128.75 Å²
Veber	0.0

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