Cat.NO.:A2146496 Purity:99%
Product Details of [ 10022-66-9 ]
CAS No. : | 10022-66-9 |
Formula : |
H4K2O6Os |
M.W : |
368.45
|
SMILES Code : | O=[Os]([O-])([O-])=O.[H]O[H].[H]O[H].[K+].[K+] |
MDL No. : | MFCD00149919 |
InChI Key : | DGODWNOPHMXOTR-UHFFFAOYSA-N |
Pubchem ID : | 53393272 |
Safety of [ 10022-66-9 ]
GHS Pictogram: | ![]() ![]() ![]() ![]() |
Signal Word: | Danger |
Hazard Statements: | H272-H290-H301-H312+H332-H314 |
Precautionary Statements: | P221-P264-P271-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P370+P378-P390-P402-P403+P233-P406-P501 |
Class: | 5.1(8) |
UN#: | 3085 |
Packing Group: | Ⅱ |
Computational Chemistry of [ 10022-66-9 ] Show Less
Physicochemical Properties
Num. heavy atoms | 9 |
Num. arom. heavy atoms | 0 |
Fraction Csp3 | None |
Num. rotatable bonds | 0 |
Num. H-bond acceptors | None |
Num. H-bond donors | None |
Molar Refractivity | 8.84 |
TPSA ?
Topological Polar Surface Area: Calculated from |
98.72 Ų |
Lipophilicity
Log Po/w (iLOGP)?
iLOGP: in-house physics-based method implemented from |
None |
Log Po/w (XLOGP3)?
XLOGP3: Atomistic and knowledge-based method calculated by |
None |
Log Po/w (WLOGP)?
WLOGP: Atomistic method implemented from |
None |
Log Po/w (MLOGP)?
MLOGP: Topological method implemented from |
None |
Log Po/w (SILICOS-IT)?
SILICOS-IT: Hybrid fragmental/topological method calculated by |
None |
Consensus Log Po/w?
Consensus Log Po/w: Average of all five predictions |
None |
Water Solubility
Log S (ESOL):?
ESOL: Topological method implemented from |
None |
Solubility | None mg/ml ; None mol/l |
Class?
Solubility class: Log S scale |
None |
Log S (Ali)?
Ali: Topological method implemented from |
None |
Solubility | None mg/ml ; None mol/l |
Class?
Solubility class: Log S scale |
None |
Log S (SILICOS-IT)?
SILICOS-IT: Fragmental method calculated by |
None |
Solubility | None mg/ml ; None mol/l |
Class?
Solubility class: Log S scale |
None |
Pharmacokinetics
GI absorption?
Gatrointestinal absorption: according to the white of the BOILED-Egg |
None |
BBB permeant?
BBB permeation: according to the yolk of the BOILED-Egg |
None |
P-gp substrate?
P-glycoprotein substrate: SVM model built on 1033 molecules (training set) |
None |
CYP1A2 inhibitor?
Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) |
None |
CYP2C19 inhibitor?
Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) |
None |
CYP2C9 inhibitor?
Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) |
None |
CYP2D6 inhibitor?
Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) |
None |
CYP3A4 inhibitor?
Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) |
None |
Log Kp (skin permeation)?
Skin permeation: QSPR model implemented from |
None cm/s |
Druglikeness
Lipinski?
Lipinski (Pfizer) filter: implemented from |
None |
Ghose?
Ghose filter: implemented from |
None |
Veber?
Veber (GSK) filter: implemented from |
None |
Egan?
Egan (Pharmacia) filter: implemented from |
None |
Muegge?
Muegge (Bayer) filter: implemented from |
None |
Bioavailability Score?
Abbott Bioavailability Score: Probability of F > 10% in rat |
None |
Medicinal Chemistry
PAINS?
Pan Assay Interference Structures: implemented from |
None alert |
Brenk?
Structural Alert: implemented from |
None alert: heavy_metal |
Leadlikeness?
Leadlikeness: implemented from |
No; 1 violation:MW< td=””> |
Synthetic accessibility?
Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) |
None |
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