Fmoc-D-Arg-OH

Introduction

CAS No. :	130752-32-8	MDL No. :	MFCD00077047
Formula :	C21H24N4O4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DVBUCBXGDWWXNY-GOSISDBHSA-N
M.W :	396.44	Pubchem ID :	7018814
Synonyms :

Physicochemical Properties

Num. heavy atoms :	29
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.29
Num. rotatable bonds :	11
Num. H-bond acceptors :	5.0
Num. H-bond donors :	5.0
Molar Refractivity :	108.69
TPSA :	137.53 Ų

Pharmacokinetics

GI absorption :	High
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) :	-7.13 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.51
Log Po/w (XLOGP3) :	2.23
Log Po/w (WLOGP) :	2.24
Log Po/w (MLOGP) :	1.74
Log Po/w (SILICOS-IT) :	1.81
Consensus Log Po/w :	1.91

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.28
Solubility :	0.207 mg/ml ; 0.000521 mol/l
Class :	Soluble
Log S (Ali) :	-4.75
Solubility :	0.00699 mg/ml ; 0.0000176 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.45
Solubility :	0.00141 mg/ml ; 0.00000356 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.07

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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