2836-32-0 Sodium glycolate

Introduction

CAS No. :	2836-32-0	MDL No. :	MFCD00065358
Formula :	C2H3NaO3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VILMUCRZVVVJCA-UHFFFAOYSA-M
M.W :	98.03	Pubchem ID :	517347
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	12.72
TPSA :	60.36 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) :	-7.69 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-9.21
Log Po/w (XLOGP3) :	-1.11
Log Po/w (WLOGP) :	-2.27
Log Po/w (MLOGP) :	-1.37
Log Po/w (SILICOS-IT) :	-0.81
Consensus Log Po/w :	-2.95

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.32
Solubility :	204.0 mg/ml ; 2.08 mol/l
Class :	Highly soluble
Log S (Ali) :	0.33
Solubility :	211.0 mg/ml ; 2.15 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	1.04
Solubility :	1090.0 mg/ml ; 11.1 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.14

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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