Chloro(triphenylphosphine)gold(I)

Introduction

CAS No. :	14243-64-2	MDL No. :	MFCD00009588
Formula :	C18H15AuClP	Boiling Point :	-
Linear Structure Formula :	[Au(P(C6H5)3)(Cl)]	InChI Key :	IFPWCRBNZXUWGC-UHFFFAOYSA-M
M.W :	494.71	Pubchem ID :	10874691
Synonyms :		Chemical Name :	Chloro(triphenylphosphine)gold(I)

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	91.0
TPSA :	13.59 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.71 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	6.49
Log Po/w (WLOGP) :	4.13
Log Po/w (MLOGP) :	5.4
Log Po/w (SILICOS-IT) :	5.5
Consensus Log Po/w :	4.3

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-7.43
Solubility :	0.0000183 mg/ml ; 0.000000037 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.57
Solubility :	0.000133 mg/ml ; 0.000000268 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-7.54
Solubility :	0.0000141 mg/ml ; 0.0000000286 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.27

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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