Alternatived Products of [ 995-82-4 ]
Product Details of [ 995-82-4 ]
CAS No. : | 995-82-4 |
MDL No. : | MFCD00513634 |
Formula : |
C12H38O5Si6
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | MEJKNMVFSMYBHE-UHFFFAOYSA-N |
M.W : |
430.94
|
Pubchem ID : | 6329090 |
Synonyms : |
|
Calculated chemistry of [ 995-82-4 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
23 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
10 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
113.11 |
TPSA : |
46.15 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-4.68 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
5.14 |
Log Po/w (XLOGP3) : |
5.99 |
Log Po/w (WLOGP) : |
3.84 |
Log Po/w (MLOGP) : |
-0.07 |
Log Po/w (SILICOS-IT) : |
-5.8 |
Consensus Log Po/w : |
1.82 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-5.63 |
Solubility : |
0.00102 mg/ml ; 0.00000237 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-6.74 |
Solubility : |
0.0000791 mg/ml ; 0.000000184 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-3.75 |
Solubility : |
0.077 mg/ml ; 0.000179 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
5.36 |
Safety of [ 995-82-4 ]
Signal Word: | Warning |
Class: | |
Precautionary Statements: | P280-P305+P351+P338 |
UN#: | |
Hazard Statements: | H302 |
Packing Group: | |
GHS Pictogram: |
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