Bis(tri-t-butylphosphine)platinum (0)

Introduction

CAS No. :	60648-70-6	MDL No. :	MFCD04974248
Formula :	C24H54P2Pt	Boiling Point :	-
Linear Structure Formula :	Pt(((CH3)3C)3P)2	InChI Key :	RJQWVEJVXWLMRE-UHFFFAOYSA-N
M.W :	599.71	Pubchem ID :	6097049
Synonyms :		Chemical Name :	Bis(tri-t-butylphosphine)platinum (0)

Physicochemical Properties

Num. heavy atoms :	27
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	6
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	135.78
TPSA :	27.18 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) :	-5.85 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	5.78
Log Po/w (WLOGP) :	9.73
Log Po/w (MLOGP) :	7.33
Log Po/w (SILICOS-IT) :	4.03
Consensus Log Po/w :	5.37

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.8
Solubility :	0.0000943 mg/ml ; 0.000000157 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.12
Solubility :	0.000455 mg/ml ; 0.000000759 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-3.63
Solubility :	0.142 mg/ml ; 0.000236 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.74

Signal Word:	Danger	Class:	4.1
Precautionary Statements:	P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313	UN#:	1325
Hazard Statements:	H315-H319-H228	Packing Group:	Ⅱ
GHS Pictogram:

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