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[ CAS No. 2973-77-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2973-77-5
Chemical Structure| 2973-77-5
Structure of 2973-77-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 2973-77-5 ]

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Product Citations

Product Details of [ 2973-77-5 ]

CAS No. :2973-77-5 MDL No. :MFCD00016980
Formula : C7H4Br2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :SXRHGLQCOLNZPT-UHFFFAOYSA-N
M.W : 279.91 Pubchem ID :18100
Synonyms :

Calculated chemistry of [ 2973-77-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 49.25
TPSA : 37.3 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.95 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.75
Log Po/w (XLOGP3) : 2.9
Log Po/w (WLOGP) : 2.73
Log Po/w (MLOGP) : 2.28
Log Po/w (SILICOS-IT) : 2.86
Consensus Log Po/w : 2.5

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.74
Solubility : 0.0509 mg/ml ; 0.000182 mol/l
Class : Soluble
Log S (Ali) : -3.34
Solubility : 0.127 mg/ml ; 0.000453 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.47
Solubility : 0.0942 mg/ml ; 0.000337 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.34

Safety of [ 2973-77-5 ]

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

Application In Synthesis of [ 2973-77-5 ]

* 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 [ 2973-77-5 ]

[ 2973-77-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 2973-77-5 ]
  • [ 36517-91-6 ]
  • 2-(3,5-Dibromo-4-hydroxy-benzylidene)-5,6-dimethoxy-indan-1,3-dione [ No CAS ]
  • 2
  • [ 17630-75-0 ]
  • [ 2973-77-5 ]
  • [ 220904-99-4 ]
YieldReaction ConditionsOperation in experiment
97% With piperidine; In methanol; at 100.0℃; for 0.5h;Microwave irradiation; General procedure: Equimolar amounts (0.3 mmol) of 5-chlorooxindole/oxindole and aldehyde were dissolved in methanol (1 ml), a drop of piperidine (30 μl) was added and the mixture heated at 100C under microwave irradiation for 30 min. The reaction mixture was cooled to room temperature and the resulting precipitate was removed by filtration, carefully washed with methanol and recrystallized at least once from methanol to give the desired product in good yield.
97% With pyridine; In methanol; at 100.0℃; for 0.5h;Microwave irradiation; General procedure: A suspension of indolinone (0.3mmol), aldehyde (0.3mmol) and pyridine (30μL) in methanol (1mL) were heated under microwave irradiation at 100 C for 30 minutes. The reaction mixture was cooled to room temperature and the resulting precipitate was removed by filtration, carefully washed with methanol and dried in vacuo. When no precipitate was observed methanol was removed under vacuum and the residue was purified by silica gel chromatography to give the desired product.
  • 3
  • [ 20876-36-2 ]
  • [ 2973-77-5 ]
  • C15H10Br2N2O2 [ No CAS ]
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Technical Information

? Acidity of Phenols ? Alkyl Halide Occurrence ? Appel Reaction ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chan-Lam Coupling Reaction ? Chugaev Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Chaykovsky Reaction ? Corey-Fuchs Reaction ? Corey-Kim Oxidation ? Dess-Martin Oxidation ? Electrophilic Substitution of the Phenol Aromatic Ring ? Etherification Reaction of Phenolic Hydroxyl Group ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Halogenation of Phenols ? Hantzsch Dihydropyridine Synthesis ? Henry Nitroaldol Reaction ? Hiyama Cross-Coupling Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Jones Oxidation ? Julia-Kocienski Olefination ? Kinetics of Alkyl Halides ? Knoevenagel Condensation ? Kumada Cross-Coupling Reaction ? Leuckart-Wallach Reaction ? Martin's Sulfurane Dehydrating Reagent ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Mitsunobu Reaction ? Moffatt Oxidation ? Mukaiyama Aldol Reaction ? Nozaki-Hiyama-Kishi Reaction ? Oxidation of Alcohols by DMSO ? Oxidation of Phenols ? Passerini Reaction ? Paternò-Büchi Reaction ? Pechmann Coumarin Synthesis ? Petasis Reaction ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Alcohols ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Prins Reaction ? Reactions of Alcohols ? Reactions of Aldehydes and Ketones ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Dihalides ? Reactions with Organometallic Reagents ? Reformatsky Reaction ? Reimer-Tiemann Reaction ? Ritter Reaction ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Sharpless Olefin Synthesis ? Stetter Reaction ? Stille Coupling ? Stobbe Condensation ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Swern Oxidation ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
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