Boc-Phe(3-F)-OH

Cat. No.: PI114873017

Product Details Other Identifiers Computed Properties

CAS	114873-01-7
Purity	97%
Molecular Formula	C14H18FNO4
Molecular Weight	283.30
Molar Refractivity	71.3

Pubchem ID	2734492
InChI Key	FPCCREICRYPTTL-NSHDSACASA-N
MDL Number	MFCD00672522

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	7
Topological Polar Surface Area	75.63 Å²
Heavy Atom Count	20
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.43
Log Po/w (iLOGP)	2.19
Log Po/w (XLOGP3)	2.61
Log Po/w (WLOGP)	2.77
Log Po/w (MLOGP)	2.36
Log Po/w (SILICOS-IT)	2.08
Consensus Log Po/w	2.4
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.18 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	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.87

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