H-Arg(Tos)-OH

Introduction

CAS No. :	4353-32-6	MDL No. :	MFCD00077167
Formula :	C13H20N4O4S	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	SLTWQHUEZWYAOI-NSHDSACASA-N
M.W :	328.39	Pubchem ID :	7408233
Synonyms :

Physicochemical Properties

Num. heavy atoms :	22
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.38
Num. rotatable bonds :	9
Num. H-bond acceptors :	6.0
Num. H-bond donors :	5.0
Molar Refractivity :	82.21
TPSA :	153.75 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-9.51 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.63
Log Po/w (XLOGP3) :	-1.7
Log Po/w (WLOGP) :	1.07
Log Po/w (MLOGP) :	-2.4
Log Po/w (SILICOS-IT) :	-0.38
Consensus Log Po/w :	-0.36

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.41
Solubility :	127.0 mg/ml ; 0.387 mol/l
Class :	Very soluble
Log S (Ali) :	-1.02
Solubility :	31.7 mg/ml ; 0.0964 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.16
Solubility :	0.228 mg/ml ; 0.000693 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.17

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

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine