(Acetylacetonato)dicarbonylrhodium(I)

Introduction

CAS No. :	14874-82-9	MDL No. :	MFCD00009884
Formula :	C7H8O4Rh	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	259.04	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.43
Num. rotatable bonds :	0
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	35.7
TPSA :	34.14 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 :	Yes
Log Kp (skin permeation) :	-6.94 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.33
Log Po/w (WLOGP) :	0.32
Log Po/w (MLOGP) :	-1.6
Log Po/w (SILICOS-IT) :	-3.53
Consensus Log Po/w :	-0.7

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.28
Solubility :	1.35 mg/ml ; 0.0052 mol/l
Class :	Soluble
Log S (Ali) :	-1.65
Solubility :	5.82 mg/ml ; 0.0225 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.12
Solubility :	1.95 mg/ml ; 0.00752 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.89

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P270-P272-P210-P240-P261-P264-P280-P302+P352-P305+P351+P338-P330-P301+P310-P333+P313-P337+P313-P363-P370+P378-P405-P501	UN#:	3467
Hazard Statements:	H228-H301-H317-H319-H412	Packing Group:	Ⅲ
GHS Pictogram:

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