Boc-L-Tyr-ol

Introduction

CAS No. :	83345-46-4	MDL No. :	MFCD00270225
Formula :	C14H21NO4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KMVXZPOLHFZPKW-NSHDSACASA-N
M.W :	267.32	Pubchem ID :	15934817
Synonyms :

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.5
Num. rotatable bonds :	7
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	72.76
TPSA :	78.79 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.57 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.38
Log Po/w (XLOGP3) :	1.91
Log Po/w (WLOGP) :	1.82
Log Po/w (MLOGP) :	1.51
Log Po/w (SILICOS-IT) :	1.61
Consensus Log Po/w :	1.84

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.47
Solubility :	0.901 mg/ml ; 0.00337 mol/l
Class :	Soluble
Log S (Ali) :	-3.19
Solubility :	0.173 mg/ml ; 0.000649 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.06
Solubility :	0.234 mg/ml ; 0.000875 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.65

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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