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[ CAS No. 14024-63-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14024-63-6
Chemical Structure| 14024-63-6
Structure of 14024-63-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 14024-63-6 ]

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Product Details of [ 14024-63-6 ]

CAS No. :14024-63-6 MDL No. :MFCD00000035
Formula : C10H14O4Zn Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 263.61 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 14024-63-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 0
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 52.08
TPSA : 68.28 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.03
Log Po/w (WLOGP) : 0.73
Log Po/w (MLOGP) : -0.65
Log Po/w (SILICOS-IT) : -2.66
Consensus Log Po/w : -0.52

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.46
Solubility : 9.24 mg/ml ; 0.035 mol/l
Class : Very soluble
Log S (Ali) : -0.95
Solubility : 29.3 mg/ml ; 0.111 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.48
Solubility : 0.0863 mg/ml ; 0.000327 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 4.53

Safety of [ 14024-63-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501 UN#:N/A
Hazard Statements:H302+H312+H332-H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 14024-63-6 ]

* 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 [ 14024-63-6 ]

[ 14024-63-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 14024-63-6 ]
  • [ 28992-50-9 ]
  • 2Zn(2+)*2CH3COC(CN)COCH3(1-)*2C6H4N3(1-) = [Zn(CH3COC(CN)COCH3)(C6H4N3)]2 [ No CAS ]
  • 2
  • [ 872-82-2 ]
  • [ 14024-63-6 ]
  • C15H22N2O5Zn [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; for 1h; 0.283 g (1 mmol) of zinc acetylacetonate was dissolved in 20 mLof methanol. In a separate flask 0.224 g (2 mmol) of 4(5)-(bhydroxyethyl)imidazole was dissolved in 5 mL of methanol. Bothsolutions were mixed and stirred for 60 min. The resulting suspensionwas filtered, the filtrate was concentrated to a small volumeand left to evaporate. After 3 years a small amount of colorlesscrystals was formed in the yellow oil. The compound was characterizedonly by X-ray diffraction.
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