H-Arg-OEt.2HCl

Introduction

CAS No. :	36589-29-4	MDL No. :	MFCD00038949
Formula :	C8H20Cl2N4O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RPFXMGGIQREZOH-ILKKLZGPSA-N
M.W :	275.18	Pubchem ID :	45073230
Synonyms :		Chemical Name :	H-Arg-OEt.2HCl

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.75
Num. rotatable bonds :	8
Num. H-bond acceptors :	4.0
Num. H-bond donors :	4.0
Molar Refractivity :	67.59
TPSA :	114.22 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) :	-7.72 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.37
Log Po/w (WLOGP) :	0.74
Log Po/w (MLOGP) :	0.32
Log Po/w (SILICOS-IT) :	-0.71
Consensus Log Po/w :	0.14

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.25
Solubility :	15.4 mg/ml ; 0.0561 mol/l
Class :	Very soluble
Log S (Ali) :	-2.33
Solubility :	1.28 mg/ml ; 0.00464 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.06
Solubility :	24.1 mg/ml ; 0.0877 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.64

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

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