Alternatived Products of [ 71119-22-7 ]
Product Details of [ 71119-22-7 ]
CAS No. : 71119-22-7
MDL No. : MFCD00064350
Formula :
C7 H14 NNaO4 S
Boiling Point :
-
Linear Structure Formula : -
InChI Key : MWEMXEWFLIDTSJ-UHFFFAOYSA-M
M.W :
231.25
Pubchem ID : 3859613
Synonyms :
Chemical Name : Sodium 3-morpholinopropane-1-sulfonate
Calculated chemistry of [ 71119-22-7 ]
Physicochemical Properties
Num. heavy atoms :
14
Num. arom. heavy atoms :
0
Fraction Csp3 :
1.0
Num. rotatable bonds :
4
Num. H-bond acceptors :
5.0
Num. H-bond donors :
0.0
Molar Refractivity :
50.23
TPSA :
78.05 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
No
P-gp substrate :
No
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-9.95 cm/s
Lipophilicity
Log Po/w (iLOGP) :
-5.71
Log Po/w (XLOGP3) :
-3.15
Log Po/w (WLOGP) :
-0.05
Log Po/w (MLOGP) :
-0.62
Log Po/w (SILICOS-IT) :
-0.32
Consensus Log Po/w :
-1.97
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
1.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
0.97
Solubility :
2180.0 mg/ml ; 9.44 mol/l
Class :
Highly soluble
Log S (Ali) :
2.08
Solubility :
27700.0 mg/ml ; 120.0 mol/l
Class :
Highly soluble
Log S (SILICOS-IT) :
-0.64
Solubility :
53.3 mg/ml ; 0.231 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
2.55