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Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
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CAS No. : | 34031-32-8 | MDL No. : | MFCD00080759 |
Formula : | C20H36AuO9PS | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | AUJRCFUBUPVWSZ-UHFFFAOYSA-M |
M.W : | 680.50 | Pubchem ID : | 24199313 |
Synonyms : |
SKF-39162;NSC 321521;NSC 321521, Ridauragold thiol;Ridaura;SKF-D-39162;Ridauragold thiol
|
Num. heavy atoms : | 32 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.8 |
Num. rotatable bonds : | 15 |
Num. H-bond acceptors : | 9.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 120.39 |
TPSA : | 166.82 Ų |
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) : | -9.37 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 1.51 |
Log Po/w (WLOGP) : | 1.87 |
Log Po/w (MLOGP) : | 1.14 |
Log Po/w (SILICOS-IT) : | 0.49 |
Consensus Log Po/w : | 1.0 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 2.0 |
Egan : | 1.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.01 |
Solubility : | 0.0658 mg/ml ; 0.0000968 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -4.62 |
Solubility : | 0.0162 mg/ml ; 0.0000239 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -3.44 |
Solubility : | 0.247 mg/ml ; 0.000363 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 4.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 6.1 |
Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P261-P280-P301+P310-P305+P351+P338-P342+P311 | UN#: | 2811 |
Hazard Statements: | H301-H318-H334-H350-H360 | Packing Group: | Ⅲ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | Stage #1: potassium tetrachloroaurate(III) With 4,4'-Thiodiphenol In water; acetone at 0 - 20℃; Stage #2: triethylphosphine In water; acetone at 0℃; for 3h; Stage #3: tetraacetyl thioglucose With potassium carbonate In dichloromethane; water; acetone at 20℃; for 2h; | 10 Potassium chloroaurate (906mg, 2.4mmol) was dissolved in a mixed solvent of water:acetone=4:1 (20mL), the temperature of the reaction solution was reduced to 0, and 4-4'-dihydroxydiphenyl sulfide (1.05 g, 4.8mmol),After stirring and mixing uniformly, add triethylphosphine (323μL, 2.4mmol), react at a constant temperature of 0°C for 3 hours, then addTetraacetylglucose 1-thiol(878mg, 2.4mmol)React with potassium carbonate (400mg, 2.9mmol) for 2 hours.The crude reaction product obtained is obtained after extraction and purificationZinofin1.17 grams of pure product,The yield was 72%. |