AMmonium succinate

Introduction

CAS No. :	2226-88-2	MDL No. :	MFCD00020534
Formula :	C4H12N2O4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	152.15	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	3
Num. H-bond acceptors :	6.0
Num. H-bond donors :	4.0
Molar Refractivity :	34.34
TPSA :	81.08 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) :	-11.92 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-6.61
Log Po/w (WLOGP) :	0.58
Log Po/w (MLOGP) :	-2.18
Log Po/w (SILICOS-IT) :	-0.63
Consensus Log Po/w :	-1.77

Druglikeness

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

Water Solubility

Log S (ESOL) :	3.58
Solubility :	577000.0 mg/ml ; 3790.0 mol/l
Class :	Highly soluble
Log S (Ali) :	5.61
Solubility :	61300000.0 mg/ml ; 403000.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.61
Solubility :	626.0 mg/ml ; 4.11 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.52

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P302+P352-P305+P351+P338	UN#:
Hazard Statements:	H315-H319	Packing Group:
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine