R406 free base

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

Cat. No.: PI841290800

Product Details Other Identifiers Computed Properties

CAS	841290-80-0
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

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

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

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