DIchloro[bis(diphenylphosphinophenyl)ether]palladium(II)

Introduction

CAS No. :	205319-06-8	MDL No. :	MFCD09953446
Formula :	C36H28Cl2OP2Pd	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	VYOUBMJFTDMKRR-UHFFFAOYSA-L
M.W :	715.88	Pubchem ID :	11377567
Synonyms :

Physicochemical Properties

Num. heavy atoms :	42
Num. arom. heavy atoms :	36
Fraction Csp3 :	0.0
Num. rotatable bonds :	8
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	182.08
TPSA :	36.41 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-3.26 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	10.43
Log Po/w (WLOGP) :	8.37
Log Po/w (MLOGP) :	7.99
Log Po/w (SILICOS-IT) :	9.99
Consensus Log Po/w :	7.36

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-10.96
Solubility :	0.0000000079 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (Ali) :	-11.14
Solubility :	0.0000000052 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (SILICOS-IT) :	-14.72
Solubility :	0.0 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	5.72

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

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