H-HomoArg-OH.HCl

Introduction

CAS No. :	1483-01-8	MDL No. :
Formula :	C7H17ClN4O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YMKBVNVCKUYUDM-JEDNCBNOSA-N
M.W :	224.69	Pubchem ID :	2723930
Synonyms :	L-Homoarginine (hydrochloride);L-Homoarginine hydrochloride;NSC 145416	Chemical Name :	H-HomoArg-OH.HCl

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.71
Num. rotatable bonds :	7
Num. H-bond acceptors :	4.0
Num. H-bond donors :	5.0
Molar Refractivity :	56.31
TPSA :	125.22 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) :	-9.83 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-3.04
Log Po/w (WLOGP) :	-0.15
Log Po/w (MLOGP) :	-2.52
Log Po/w (SILICOS-IT) :	-1.25
Consensus Log Po/w :	-1.39

Druglikeness

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

Water Solubility

Log S (ESOL) :	1.14
Solubility :	3130.0 mg/ml ; 13.9 mol/l
Class :	Highly soluble
Log S (Ali) :	0.97
Solubility :	2120.0 mg/ml ; 9.41 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.35
Solubility :	100.0 mg/ml ; 0.446 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.32

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:

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