Sodium tetraphenylborate

Introduction

CAS No. :	143-66-8	MDL No. :	MFCD00011494
Formula :	C24H20BNa	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HFSRCEJMTLMDLI-UHFFFAOYSA-N
M.W :	342.22	Pubchem ID :	2723787
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	110.06
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.35 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	7.1
Log Po/w (WLOGP) :	3.06
Log Po/w (MLOGP) :	6.27
Log Po/w (SILICOS-IT) :	4.82
Consensus Log Po/w :	4.25

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.85
Solubility :	0.0000479 mg/ml ; 0.00000014 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.92
Solubility :	0.0000413 mg/ml ; 0.000000121 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-9.97
Solubility :	0.0000000366 mg/ml ; 0.0000000001 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.85

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P261-P301+P310-P305+P351+P338	UN#:	2811
Hazard Statements:	H301-H315-H319-H335	Packing Group:	Ⅲ
GHS Pictogram:

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