Sodium succinate hexahydrate

Introduction

CAS No. :	6106-21-4	MDL No. :	MFCD00149117
Formula :	C4H16Na2O10	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZBTUYCUNQBRXOR-UHFFFAOYSA-L
M.W :	270.14	Pubchem ID :	3083938
Synonyms :		Chemical Name :	Sodium succinate hexahydrate

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	3
Num. H-bond acceptors :	10.0
Num. H-bond donors :	6.0
Molar Refractivity :	39.29
TPSA :	135.64 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) :	-10.38 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-28.06
Log Po/w (XLOGP3) :	-3.43
Log Po/w (WLOGP) :	-3.12
Log Po/w (MLOGP) :	-5.32
Log Po/w (SILICOS-IT) :	-0.63
Consensus Log Po/w :	-8.11

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.84
Solubility :	1890.0 mg/ml ; 6.98 mol/l
Class :	Highly soluble
Log S (Ali) :	1.16
Solubility :	3900.0 mg/ml ; 14.4 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.61
Solubility :	1110.0 mg/ml ; 4.11 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.98

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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