Tris(perfluorophenyl)phosphine

Introduction

CAS No. :	1259-35-4	MDL No. :	MFCD00079654
Formula :	C18F15P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FQLSDFNKTNBQLC-UHFFFAOYSA-N
M.W :	532.14	Pubchem ID :	102076
Synonyms :		Chemical Name :	Tris(perfluorophenyl)phosphine

Physicochemical Properties

Num. heavy atoms :	34
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	15.0
Num. H-bond donors :	0.0
Molar Refractivity :	84.52
TPSA :	13.59 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) :	-5.21 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.45
Log Po/w (XLOGP3) :	6.11
Log Po/w (WLOGP) :	11.83
Log Po/w (MLOGP) :	10.82
Log Po/w (SILICOS-IT) :	11.82
Consensus Log Po/w :	8.81

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	3.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-7.18
Solubility :	0.000035 mg/ml ; 0.0000000657 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.18
Solubility :	0.000354 mg/ml ; 0.000000665 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-11.52
Solubility :	0.0000000016 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.94

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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