Palladium(II) pivalate

Introduction

CAS No. :	106224-36-6	MDL No. :	MFCD16038138
Formula :	C10H18O4Pd	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	PAGZTSLSNQZYEV-UHFFFAOYSA-L
M.W :	308.67	Pubchem ID :	24905427
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.8
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	51.44
TPSA :	80.26 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) :	-6.29 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.66
Log Po/w (WLOGP) :	-0.44
Log Po/w (MLOGP) :	1.55
Log Po/w (SILICOS-IT) :	0.2
Consensus Log Po/w :	0.8

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.3
Solubility :	0.156 mg/ml ; 0.000504 mol/l
Class :	Soluble
Log S (Ali) :	-4.0
Solubility :	0.0311 mg/ml ; 0.000101 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-0.39
Solubility :	126.0 mg/ml ; 0.409 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.19

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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