23108-72-7 Methyl(triphenylphosphine)gold(I)

Introduction

CAS No. :	23108-72-7	MDL No. :	MFCD07369042
Formula :	C19H19AuP	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	475.29	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.05
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	91.01
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 :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.58 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	5.09
Log Po/w (WLOGP) :	4.03
Log Po/w (MLOGP) :	5.4
Log Po/w (SILICOS-IT) :	4.45
Consensus Log Po/w :	3.79

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.36
Solubility :	0.000208 mg/ml ; 0.000000439 mol/l
Class :	Poorly soluble
Log S (Ali) :	-5.12
Solubility :	0.00361 mg/ml ; 0.00000761 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-8.46
Solubility :	0.00000163 mg/ml ; 0.0000000034 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.75

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P301+P312+P330-P304+P340+P312-P305+P351+P338-P337+P313	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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