Alternatived Products of [ 51460-26-5 ]
Product Details of [ 51460-26-5 ]
CAS No. : | 51460-26-5 |
MDL No. : | MFCD00867493 |
Formula : |
C10H11N4NaO5S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
322.27
|
Pubchem ID : | - |
Synonyms : |
|
Chemical Name : | Sodium 5-(2-carbamoylhydrazono)-1-methyl-6-oxo-2,3,5,6-tetrahydro-1H-indole-2-sulfonate |
Calculated chemistry of [ 51460-26-5 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
21 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.3 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
70.49 |
TPSA : |
153.37 ?2 |
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) : |
-9.26 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-12.16 |
Log Po/w (XLOGP3) : |
-1.4 |
Log Po/w (WLOGP) : |
-0.69 |
Log Po/w (MLOGP) : |
-1.25 |
Log Po/w (SILICOS-IT) : |
-2.36 |
Consensus Log Po/w : |
-3.57 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.76 |
Solubility : |
56.3 mg/ml ; 0.175 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.32 |
Solubility : |
15.5 mg/ml ; 0.048 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
0.0 |
Solubility : |
325.0 mg/ml ; 1.01 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
2.0 alert |
Brenk : |
3.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
4.59 |
Safety of [ 51460-26-5 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P280 |
UN#: | N/A |
Hazard Statements: | H302-H317 |
Packing Group: | N/A |
GHS Pictogram: |
|