119924-32-2 4-(Piperazin-1-yl)furo[3,2-c]pyridine hydrochloride

Introduction

CAS No. :	119924-32-2	MDL No. :	MFCD18382538
Formula :	C11H14ClN3O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	HKIQJGMEIRISEA-UHFFFAOYSA-N
M.W :	239.70	Pubchem ID :	45259328
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.36
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	72.33
TPSA :	41.3 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.44 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.86
Log Po/w (WLOGP) :	1.28
Log Po/w (MLOGP) :	1.05
Log Po/w (SILICOS-IT) :	1.54
Consensus Log Po/w :	1.15

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.85
Solubility :	0.34 mg/ml ; 0.00142 mol/l
Class :	Soluble
Log S (Ali) :	-2.35
Solubility :	1.07 mg/ml ; 0.00448 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.42
Solubility :	0.0918 mg/ml ; 0.000383 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.76

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

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