[1,2-Bis(diphenylphosphino)ethane]dichloropalladium(II)

Introduction

CAS No. :	19978-61-1	MDL No. :	MFCD00015702
Formula :	C26H24Cl2P2Pd	Boiling Point :	-
Linear Structure Formula :	Cl2Pd((C6H5)2PCH2CH2P(C6H5)2)	InChI Key :	LDJXFZUGZASGIW-UHFFFAOYSA-L
M.W :	575.74	Pubchem ID :	11071931
Synonyms :

Physicochemical Properties

Num. heavy atoms :	31
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.08
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	139.46
TPSA :	27.18 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-4.5 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	7.48
Log Po/w (WLOGP) :	6.63
Log Po/w (MLOGP) :	6.69
Log Po/w (SILICOS-IT) :	6.2
Consensus Log Po/w :	5.4

Druglikeness

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

Water Solubility

Log S (ESOL) :	-8.43
Solubility :	0.00000213 mg/ml ; 0.0000000037 mol/l
Class :	Poorly soluble
Log S (Ali) :	-7.88
Solubility :	0.00000752 mg/ml ; 0.0000000131 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-12.07
Solubility :	0.0000000005 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.55

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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