Potassium di-tert-butyl phosphate

Introduction

CAS No. :	33494-80-3	MDL No. :	MFCD03840344
Formula :	C8H18KO4P	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	ZSWXMOQFFWMZQH-UHFFFAOYSA-M
M.W :	248.30	Pubchem ID :	23674467
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	51.11
TPSA :	68.4 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.14 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-2.64
Log Po/w (XLOGP3) :	0.95
Log Po/w (WLOGP) :	3.16
Log Po/w (MLOGP) :	1.04
Log Po/w (SILICOS-IT) :	0.76
Consensus Log Po/w :	0.65

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.71
Solubility :	4.8 mg/ml ; 0.0193 mol/l
Class :	Very soluble
Log S (Ali) :	-1.97
Solubility :	2.64 mg/ml ; 0.0106 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.23
Solubility :	14.6 mg/ml ; 0.0587 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.99

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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