Fmoc-Arg(Tos)-OH

Introduction

CAS No. :	83792-47-6	MDL No. :	MFCD00063331
Formula :	C28H30N4O6S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	JRRARHJPRLAGNT-VWLOTQADSA-N
M.W :	550.63	Pubchem ID :	3010412
Synonyms :	N2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-Nw-tosyl-L-arginine

Physicochemical Properties

Num. heavy atoms :	39
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.25
Num. rotatable bonds :	14
Num. H-bond acceptors :	7.0
Num. H-bond donors :	5.0
Molar Refractivity :	146.37
TPSA :	166.06 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.73 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.53
Log Po/w (XLOGP3) :	4.13
Log Po/w (WLOGP) :	4.65
Log Po/w (MLOGP) :	1.97
Log Po/w (SILICOS-IT) :	2.81
Consensus Log Po/w :	3.22

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	2.0
Egan :	1.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.27
Solubility :	0.00293 mg/ml ; 0.00000533 mol/l
Class :	Moderately soluble
Log S (Ali) :	-7.32
Solubility :	0.0000261 mg/ml ; 0.0000000474 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-8.53
Solubility :	0.00000164 mg/ml ; 0.000000003 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	4.91

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

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