Dirhodium tetraacetate

Introduction

CAS No. :	15956-28-2	MDL No. :	MFCD00003538
Formula :	C8H12O8Rh2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	441.99	Pubchem ID :	-
Synonyms :	Tetrakis(acetato)dirhodium(II);Rhodium(II) acetate dimer

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.6
Num. rotatable bonds :	0
Num. H-bond acceptors :	8.0
Num. H-bond donors :	0.0
Molar Refractivity :	53.21
TPSA :	105.2 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) :	-9.76 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.87
Log Po/w (WLOGP) :	-0.35
Log Po/w (MLOGP) :	-0.63
Log Po/w (SILICOS-IT) :	-4.67
Consensus Log Po/w :	-1.3

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.18
Solubility :	3.07 mg/ml ; 0.00659 mol/l
Class :	Soluble
Log S (Ali) :	-0.86
Solubility :	64.7 mg/ml ; 0.139 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.75
Solubility :	0.825 mg/ml ; 0.00177 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	5.76

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:

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