4975-73-9 N,N'-Dicyclohexylmorpholine-4-carboximidamide

Introduction

CAS No. :	4975-73-9	MDL No. :	MFCD00063252
Formula :	C17H31N3O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OZNYZQOTXQSUJM-UHFFFAOYSA-N
M.W :	293.45	Pubchem ID :	21079
Synonyms :

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.94
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	91.87
TPSA :	36.86 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.42
Log Po/w (XLOGP3) :	2.88
Log Po/w (WLOGP) :	2.55
Log Po/w (MLOGP) :	2.72
Log Po/w (SILICOS-IT) :	2.94
Consensus Log Po/w :	2.9

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.21
Solubility :	0.181 mg/ml ; 0.000617 mol/l
Class :	Soluble
Log S (Ali) :	-3.31
Solubility :	0.142 mg/ml ; 0.000485 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.08
Solubility :	0.246 mg/ml ; 0.000839 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.51

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