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[ CAS No. 5893-61-8 ] {[proInfo.proName]}

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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+
Chemical Structure| 5893-61-8
Chemical Structure| 5893-61-8
Structure of 5893-61-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 5893-61-8 ]

CAS No. :5893-61-8 MDL No. :MFCD00167128
Formula : C2H10CuO8 Boiling Point : -
Linear Structure Formula :- InChI Key :LSIWWRSSSOYIMS-UHFFFAOYSA-L
M.W : 225.64 Pubchem ID :6432244
Synonyms :

Calculated chemistry of [ 5893-61-8 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 8.0
Num. H-bond donors : 4.0
Molar Refractivity : 26.47
TPSA : 117.18 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) : -9.3 cm/s

Lipophilicity

Log Po/w (iLOGP) : -32.66
Log Po/w (XLOGP3) : -2.29
Log Po/w (WLOGP) : -3.53
Log Po/w (MLOGP) : -4.74
Log Po/w (SILICOS-IT) : -0.23
Consensus Log Po/w : -8.69

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.2
Solubility : 361.0 mg/ml ; 1.6 mol/l
Class : Highly soluble
Log S (Ali) : 0.36
Solubility : 522.0 mg/ml ; 2.31 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.97
Solubility : 2120.0 mg/ml ; 9.4 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.27

Safety of [ 5893-61-8 ]

Signal Word:Danger Class:9
Precautionary Statements:P260-P264-P270-P273-P280-P301+P312+P330-P304+P312-P305+P351+P338-P314-P337+P313-P391-P501 UN#:3077
Hazard Statements:H302-H319-H332-H372-H400 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 5893-61-8 ]

* 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 [ 5893-61-8 ]

[ 5893-61-8 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 33527-91-2 ]
  • sodium perchlorate [ No CAS ]
  • [ 5893-61-8 ]
  • [ 176172-99-9 ]
  • 2
  • [ 67-56-1 ]
  • [ 652-36-8 ]
  • [ 5893-61-8 ]
  • [ 792912-71-1 ]
  • 3
  • [ 64479-78-3 ]
  • [ 610-29-7 ]
  • [ 5893-61-8 ]
  • C8H3NO6(2-)*C11H9N3O*Cu(2+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
98% Under nitrogen atmosphere, 1.13 g (5.0 mmol) of copper formate tetrahydrate and 1.06 g (5.0 mmol) of <strong>[610-29-7]2-nitroterephthalic acid</strong> were dissolved in 800 mL of methanol, and the mixture was stirred at 313 K for 24 hours. Thereafter, a solution obtained by dissolving 0.500 g (2.5 mmol) of N-(4-pyridyl)isonicotinamide in 40 mL of methanol was added, and further stirred at 313 K for 24 hours. As a result of the single crystal X-ray structure analysis of the precipitated metal complex, the resulting metal complex was a three-dimensional structure in which the juncture and the skeleton were mutually penetrated. The precipitated metal complex was recovered by suction filtration, and washed three times with methanol. Subsequently, it was dried at 373 K and 50 Pa for 8 hours and 1.83 g (yield 98%) of the objective metal complex was obtained.
  • 4
  • [ 5893-61-8 ]
  • [ 75415-03-1 ]
  • [Cu2(μ-2-(1H-pyrazol-3-yl)pyridine)2(HCOO)2(H2O)2] [ No CAS ]
YieldReaction ConditionsOperation in experiment
76% With sodium ethanolate; In ethanol; water; acetonitrile; for 168h; Solid HL (14.5 mg, 0.10 mmol) and NaOEt (6.8 mg,0.10 mmol) were dissolved in ethanol (8 mL). Cu(HCOO)2·4H2O (15.4 mg, 0.10 mmol) was dissolved in a mixture of acetonitrile (4 mL) and water (2 mL). The two solutions were mixed together and stirred for 10 min. The resulting green solution was filtered and evaporated for one week to give dark green rod-shaped crystals of 1.
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