1187974-47-5 (Tetrahydro-2H-pyran-4-yl)hydrazine dihydrochloride

Introduction

CAS No. :	1187974-47-5	MDL No. :	MFCD16621145
Formula :	C5H14Cl2N2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	LEQYXDJQJWQHEP-UHFFFAOYSA-N
M.W :	189.08	Pubchem ID :	50988431
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	44.56
TPSA :	47.28 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.7 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.06
Log Po/w (WLOGP) :	1.23
Log Po/w (MLOGP) :	0.5
Log Po/w (SILICOS-IT) :	-0.03
Consensus Log Po/w :	0.55

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.61
Solubility :	4.6 mg/ml ; 0.0243 mol/l
Class :	Very soluble
Log S (Ali) :	-1.64
Solubility :	4.29 mg/ml ; 0.0227 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.42
Solubility :	72.6 mg/ml ; 0.384 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.92

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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