Ferrous Bisglycinate

Introduction

CAS No. :	20150-34-9	MDL No. :	MFCD07780318
Formula :	C4H8FeN2O4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GIPOFCXYHMWROH-UHFFFAOYSA-L
M.W :	203.96	Pubchem ID :	9837124
Synonyms :		Chemical Name :	Ferrous Bisglycinate

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	2
Num. H-bond acceptors :	6.0
Num. H-bond donors :	2.0
Molar Refractivity :	28.53
TPSA :	132.3 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) :	-12.24 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-6.61
Log Po/w (WLOGP) :	-4.61
Log Po/w (MLOGP) :	-6.61
Log Po/w (SILICOS-IT) :	-1.04
Consensus Log Po/w :	-3.78

Druglikeness

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

Water Solubility

Log S (ESOL) :	3.19
Solubility :	317000.0 mg/ml ; 1560.0 mol/l
Class :	Highly soluble
Log S (Ali) :	4.53
Solubility :	6910000.0 mg/ml ; 33900.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.83
Solubility :	1390.0 mg/ml ; 6.79 mol/l
Class :	Soluble

Medicinal Chemistry

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

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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