Alternatived Products of [ 7399-00-0 ]
Product Details of [ 7399-00-0 ]
CAS No. : | 7399-00-0 |
MDL No. : | MFCD00039875 |
Formula : |
C24H52O3Si
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | FZMJEGJVKFTGMU-UHFFFAOYSA-N |
M.W : |
416.75
|
Pubchem ID : | 81885 |
Synonyms : |
|
Calculated chemistry of [ 7399-00-0 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
28 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
23 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
128.6 |
TPSA : |
27.69 ?2 |
Pharmacokinetics
GI absorption : |
Low |
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) : |
-1.19 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
7.0 |
Log Po/w (XLOGP3) : |
10.78 |
Log Po/w (WLOGP) : |
8.3 |
Log Po/w (MLOGP) : |
4.45 |
Log Po/w (SILICOS-IT) : |
7.07 |
Consensus Log Po/w : |
7.52 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-7.7 |
Solubility : |
0.00000837 mg/ml ; 0.0000000201 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-11.32 |
Solubility : |
0.000000002 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-8.76 |
Solubility : |
0.000000729 mg/ml ; 0.0000000018 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
5.98 |
Safety of [ 7399-00-0 ]
Signal Word: | Warning |
Class: | |
Precautionary Statements: | P305+P351+P338 |
UN#: | |
Hazard Statements: | H315-H319 |
Packing Group: | |
GHS Pictogram: |
|
Categories