Alternatived Products of [ 106627-54-7 ]
Product Details of [ 106627-54-7 ]
CAS No. : | 106627-54-7 |
MDL No. : | |
Formula : |
C4H4NNaO6S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | RPENMORRBUTCPR-UHFFFAOYSA-M |
M.W : |
217.13
|
Pubchem ID : | 3520574 |
Synonyms : |
N-Hydroxysulfosuccinimide (sodium salt);Sulfo-NHS
|
Calculated chemistry of [ 106627-54-7 ]
Physicochemical Properties
Num. heavy atoms : |
13 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
35.85 |
TPSA : |
123.19 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) : |
-8.89 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-10.78 |
Log Po/w (XLOGP3) : |
-1.78 |
Log Po/w (WLOGP) : |
-1.25 |
Log Po/w (MLOGP) : |
-1.53 |
Log Po/w (SILICOS-IT) : |
-2.12 |
Consensus Log Po/w : |
-3.49 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
0.0 |
Solubility : |
218.0 mg/ml ; 1.0 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
-0.29 |
Solubility : |
111.0 mg/ml ; 0.512 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
1.35 |
Solubility : |
4840.0 mg/ml ; 22.3 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
3.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.28 |
Safety of [ 106627-54-7 ]