Fmoc-Asp(OtBu)-OH

Cat. No.: PI71989145

Product Details Other Identifiers Computed Properties

CAS	71989-14-5
Purity	98%
Molecular Formula	C23H25NO6
Linear Formula	HOCOCHNHCOOCH2C13H9CH2COOC(CH3)3
Molecular Weight	411.45
Molar Refractivity	110.53

Pubchem ID	2724635
InChI Key	FODJWPHPWBKDON-IBGZPJMESA-N
MDL Number	MFCD00037131

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	30
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.35
Log Po/w (iLOGP)	2.84
Log Po/w (XLOGP3)	3.5
Log Po/w (WLOGP)	3.71
Log Po/w (MLOGP)	2.56
Log Po/w (SILICOS-IT)	3.32
Consensus Log Po/w	3.19
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.32 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	4.07

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