(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one

Cat. No.: PI877676501

Product Details Other Identifiers Computed Properties

CAS	877676-50-1
Purity	95%
Molecular Formula	C12H17ClN4O
Molecular Weight	268.74
Molar Refractivity	78.64

Pubchem ID	58405561
InChI Key	RKXHCGYXHHPYHQ-MRVPVSSYSA-N
MDL Number	MFCD16621126

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	2
Topological Polar Surface Area	49.33 Å²
Heavy Atom Count	18
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.58
Log Po/w (iLOGP)	2.8
Log Po/w (XLOGP3)	2.51
Log Po/w (WLOGP)	1.34
Log Po/w (MLOGP)	1.39
Log Po/w (SILICOS-IT)	1.46
Consensus Log Po/w	1.9
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.16 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	3.14

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