(-)-N-Boc-D-α-phenylglycinol

Cat. No.: PI102089747

Product Details Other Identifiers Computed Properties

CAS	102089-74-7
Synonyms	Boc-D-Phenylglycinol
Purity	97%
Molecular Formula	C13H19NO3
Molecular Weight	237.30
Molar Refractivity	65.93

Pubchem ID	7016461
InChI Key	IBDIOGYTZBKRGI-NSHDSACASA-N
MDL Number	MFCD00274205

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	6
Topological Polar Surface Area	58.56 Å²
Heavy Atom Count	17
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.46
Log Po/w (iLOGP)	2.56
Log Po/w (XLOGP3)	1.77
Log Po/w (WLOGP)	1.92
Log Po/w (MLOGP)	1.8
Log Po/w (SILICOS-IT)	1.66
Consensus Log Po/w	1.94
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.49 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	1.0
Synthetic Accessibility	2.44

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