Dichlorodicarbonylbis(triphenylphosphine)ruthenium(II)

Introduction

CAS No. :	14564-35-3	MDL No. :	MFCD00009594
Formula :	C38H34Cl2O2P2Ru	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PXURRFCLQDNZOY-UHFFFAOYSA-L
M.W :	756.60	Pubchem ID :	10919741
Synonyms :		Chemical Name :	Dichlorodicarbonylbis(triphenylphosphine)ruthenium(II)

Physicochemical Properties

Num. heavy atoms :	45
Num. arom. heavy atoms :	36
Fraction Csp3 :	0.0
Num. rotatable bonds :	6
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	193.39
TPSA :	61.32 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) :	-0.67 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	14.39
Log Po/w (WLOGP) :	7.47
Log Po/w (MLOGP) :	6.75
Log Po/w (SILICOS-IT) :	5.5
Consensus Log Po/w :	6.82

Druglikeness

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

Water Solubility

Log S (ESOL) :	-13.77
Solubility :	0.0 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (Ali) :	-15.77
Solubility :	0.0 mg/ml ; 1.69e-16 mol/l
Class :	Insoluble
Log S (SILICOS-IT) :	-7.54
Solubility :	0.0000215 mg/ml ; 0.0000000286 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.96

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H317-H319	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine