L-Arginine L-aspartate

Introduction

CAS No. :	7675-83-4	MDL No. :	MFCD00058334
Formula :	C10H21N5O6	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SUUWYOYAXFUOLX-ZBRNBAAYSA-N
M.W :	307.30	Pubchem ID :	11500504
Synonyms :		Chemical Name :	L-Arginine L-aspartate

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.6
Num. rotatable bonds :	9
Num. H-bond acceptors :	9.0
Num. H-bond donors :	8.0
Molar Refractivity :	72.13
TPSA :	225.84 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-13.9 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-0.22
Log Po/w (XLOGP3) :	-8.07
Log Po/w (WLOGP) :	-2.47
Log Po/w (MLOGP) :	-6.57
Log Po/w (SILICOS-IT) :	-1.61
Consensus Log Po/w :	-3.79

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	3.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	3.93
Solubility :	2630000.0 mg/ml ; 8570.0 mol/l
Class :	Highly soluble
Log S (Ali) :	4.08
Solubility :	3700000.0 mg/ml ; 12000.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.06
Solubility :	353.0 mg/ml ; 1.15 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.22

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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