Triphenylmethylium tetrakis(perfluorophenyl)borate

Introduction

CAS No. :	136040-19-2	MDL No. :	MFCD03426981
Formula :	C43H15BF20	Boiling Point :	-
Linear Structure Formula :	(C(C6H5)3)(B(C6F5)4)	InChI Key :	TZOSNOQHGGONMD-UHFFFAOYSA-N
M.W :	922.36	Pubchem ID :	9832824
Synonyms :		Chemical Name :	Triphenylmethylium tetrakis(perfluorophenyl)borate

Physicochemical Properties

Num. heavy atoms :	64
Num. arom. heavy atoms :	42
Fraction Csp3 :	0.02
Num. rotatable bonds :	7
Num. H-bond acceptors :	20.0
Num. H-bond donors :	0.0
Molar Refractivity :	188.43
TPSA :	0.0 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) :	-1.7 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	14.4
Log Po/w (WLOGP) :	18.78
Log Po/w (MLOGP) :	16.13
Log Po/w (SILICOS-IT) :	13.34
Consensus Log Po/w :	12.53

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	4.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-14.65
Solubility :	0.0 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (Ali) :	-14.49
Solubility :	0.0 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (SILICOS-IT) :	-15.17
Solubility :	0.0 mg/ml ; 6.82e-16 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	4.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.16

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H312-H315-H319-H332-H335	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