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[ CAS No. 34031-32-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
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Chemical Structure| 34031-32-8
Chemical Structure| 34031-32-8
Structure of 34031-32-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 34031-32-8 ]

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

Calculated chemistry of [ 34031-32-8 ]

Physicochemical Properties

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

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) : -9.37 cm/s

Lipophilicity

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

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 2.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

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

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 4.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 6.1

Safety of [ 34031-32-8 ]

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:
GHS Pictogram:

Application In Synthesis of [ 34031-32-8 ]

* 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.

  • Downstream synthetic route of [ 34031-32-8 ]

[ 34031-32-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ CAS Unavailable ]
  • [ 19879-84-6 ]
  • [ 554-70-1 ]
  • [ 34031-32-8 ]
YieldReaction ConditionsOperation 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%.
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