4-[2-(2-Hydroxyethoxy)ethyl]morpholine

Introduction

CAS No. :	3603-45-0	MDL No. :	MFCD01095822
Formula :	C8H17NO3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	BLIMWOGCOCPQEU-UHFFFAOYSA-N
M.W :	175.23	Pubchem ID :	458464
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	5
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	48.6
TPSA :	41.93 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.04 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.09
Log Po/w (XLOGP3) :	-0.94
Log Po/w (WLOGP) :	-1.05
Log Po/w (MLOGP) :	-0.83
Log Po/w (SILICOS-IT) :	0.67
Consensus Log Po/w :	-0.01

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.0
Solubility :	174.0 mg/ml ; 0.99 mol/l
Class :	Very soluble
Log S (Ali) :	0.54
Solubility :	613.0 mg/ml ; 3.5 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.85
Solubility :	24.9 mg/ml ; 0.142 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.06

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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