Fmoc-Glu(OMe)-OH

Cat. No.: PI145038502

Product Details Other Identifiers Computed Properties

CAS	145038-50-2
Purity	97%
Molecular Formula	C21H21NO6
Molecular Weight	383.39
Molar Refractivity	100.88

Pubchem ID	51340556
InChI Key	RULINAWEYRMHHQ-SFHVURJKSA-N
MDL Number	MFCD01076132

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	10
Topological Polar Surface Area	101.93 Å²
Heavy Atom Count	28
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.29
Log Po/w (iLOGP)	2.39
Log Po/w (XLOGP3)	2.87
Log Po/w (WLOGP)	2.93
Log Po/w (MLOGP)	2.13
Log Po/w (SILICOS-IT)	2.83
Consensus Log Po/w	2.63
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.6 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	3.98

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