6-Methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol hydrochloride

Introduction

CAS No. :	1006-21-9	MDL No. :	MFCD18803544
Formula :	C8H10ClNO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RTYSWYUCXGLWNW-UHFFFAOYSA-N
M.W :	187.62	Pubchem ID :	6451169
Synonyms :		Chemical Name :	6-Methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol hydrochloride

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.38
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	47.09
TPSA :	42.35 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.79 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.92
Log Po/w (WLOGP) :	1.62
Log Po/w (MLOGP) :	0.26
Log Po/w (SILICOS-IT) :	1.96
Consensus Log Po/w :	0.95

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.95
Solubility :	2.09 mg/ml ; 0.0111 mol/l
Class :	Very soluble
Log S (Ali) :	-1.4
Solubility :	7.55 mg/ml ; 0.0403 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.11
Solubility :	1.45 mg/ml ; 0.00774 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.0

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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