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[ CAS No. 146535-11-7 ] {[proInfo.proName]}

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Chemical Structure| 146535-11-7
Chemical Structure| 146535-11-7
Structure of 146535-11-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 146535-11-7 ]

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Product Details of [ 146535-11-7 ]

CAS No. :146535-11-7 MDL No. :MFCD00270913
Formula : C16H14N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :QNOXYUNHIGOWNY-UHFFFAOYSA-N
M.W : 266.29 Pubchem ID :2049
Synonyms :
AG 1296
Chemical Name :6,7-Dimethoxy-2-phenylquinoxaline

Calculated chemistry of [ 146535-11-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 16
Fraction Csp3 : 0.12
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 77.96
TPSA : 44.24 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.92
Log Po/w (XLOGP3) : 3.42
Log Po/w (WLOGP) : 3.31
Log Po/w (MLOGP) : 1.67
Log Po/w (SILICOS-IT) : 3.48
Consensus Log Po/w : 2.96

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.04
Solubility : 0.0243 mg/ml ; 0.0000913 mol/l
Class : Moderately soluble
Log S (Ali) : -4.03
Solubility : 0.0249 mg/ml ; 0.0000935 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.1
Solubility : 0.000211 mg/ml ; 0.000000791 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.39

Safety of [ 146535-11-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 146535-11-7 ]

* 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 [ 146535-11-7 ]

[ 146535-11-7 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 146535-11-7 ]
  • 2-Phenyl-quinoxaline-6,7-diol; hydrobromide [ No CAS ]
  • 2
  • [ 146535-11-7 ]
  • [ 50616-92-7 ]
  • 3
  • [ 1074-12-0 ]
  • [ 27841-33-4 ]
  • [ 146535-11-7 ]
  • 4
  • [ 3395-03-7 ]
  • [ 146535-11-7 ]
YieldReaction ConditionsOperation in experiment
2-phenyl-6,7-dimetoxyquinoxaline, m.p. 200 C.
2-phenyl-6,7-dimethoxyquinoxaline, m.p. 200 C.
  • 6
  • [ 582-24-1 ]
  • [ 27841-33-4 ]
  • [ 146535-11-7 ]
YieldReaction ConditionsOperation in experiment
50% With triphenylantimony; In dichloromethane; at 20.0℃; for 24.0h; General procedure: Triphenylstibane(35.5 mg, 0.1 mmol, 10 mol%) and diamine 2 (1.2 mmol) were added to a solution of -hydroxy ketone 1(1 mmol) in toluene (6 mL) under air. The solution was stirred at room temperature and monitored byTLC. The reaction mixture was concentrated under reduced pressure and the residue was purified bycolumn chromatography (CH2Cl2) on silica gel. The products were confirmed by comparison of mp,NMR data, and MS spectra with that in the literature. 822:
  • 7
  • [ 64-04-0 ]
  • [ 27841-33-4 ]
  • [ 146535-11-7 ]
  • 8
  • [ 24395-14-0 ]
  • [ 16791-41-6 ]
  • [ 146535-11-7 ]
  • 9
  • N-{2-[(2-bromo-4,5-dimethoxyphenyl)amino]-2-phenylethyl}-4-methylbenzenesulfonamide [ No CAS ]
  • [ 146535-11-7 ]
  • 10
  • ethyl 3-(3,4-dimethoxyphenylamino)-3-phenylacrylate [ No CAS ]
  • [ 146535-11-7 ]
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