Sodium 4-hydroxyphenyl phosphate

Introduction

CAS No. :	20368-79-0	MDL No. :	MFCD26406259
Formula :	C6H5Na2O5P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	JOYKXZZXDRGNST-UHFFFAOYSA-L
M.W :	234.05	Pubchem ID :	18938466
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	5.0
Num. H-bond donors :	1.0
Molar Refractivity :	38.07
TPSA :	102.46 Ų

Pharmacokinetics

GI absorption :	High
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) :	-7.79 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-22.99
Log Po/w (XLOGP3) :	-0.09
Log Po/w (WLOGP) :	1.74
Log Po/w (MLOGP) :	-0.23
Log Po/w (SILICOS-IT) :	-0.29
Consensus Log Po/w :	-4.37

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.42
Solubility :	8.91 mg/ml ; 0.0381 mol/l
Class :	Very soluble
Log S (Ali) :	-1.61
Solubility :	5.75 mg/ml ; 0.0246 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.43
Solubility :	86.4 mg/ml ; 0.369 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.05

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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