N,N'-Ethylenebis(salicylideneiminato)cobalt(II)

Introduction

CAS No. :	14167-18-1	MDL No. :	MFCD00000009
Formula :	C16H16CoN2O2	Boiling Point :	-
Linear Structure Formula :	OC6H4CHNCH2CH2NCHC6H4OCo	InChI Key :	-
M.W :	327.24	Pubchem ID :	-
Synonyms :		Chemical Name :	N,N'-Ethylenebis(salicylideneiminato)cobalt(II)

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.12
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	84.6
TPSA :	58.86 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.67 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.27
Log Po/w (WLOGP) :	2.15
Log Po/w (MLOGP) :	1.17
Log Po/w (SILICOS-IT) :	-0.24
Consensus Log Po/w :	1.07

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.71
Solubility :	0.0635 mg/ml ; 0.000195 mol/l
Class :	Soluble
Log S (Ali) :	-3.14
Solubility :	0.234 mg/ml ; 0.00072 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.31
Solubility :	0.00159 mg/ml ; 0.00000488 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	4.63

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P501-P202-P201-P264-P280-P308+P313-P337+P313-P305+P351+P338-P332+P313-P405	UN#:	N/A
Hazard Statements:	H315-H319-H351	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