成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 519055-62-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 519055-62-0
Chemical Structure| 519055-62-0
Structure of 519055-62-0 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 519055-62-0 ]

Related Doc. of [ 519055-62-0 ]

Alternatived Products of [ 519055-62-0 ]
Product Citations

Product Details of [ 519055-62-0 ]

CAS No. :519055-62-0 MDL No. :N/A
Formula : C11H6BrCl2NO3S2 Boiling Point : -
Linear Structure Formula :- InChI Key :WWONFUQGBVOKOF-UHFFFAOYSA-N
M.W : 415.11 Pubchem ID :10160238
Synonyms :
LY 573636
Chemical Name :N-((5-Bromothiophen-2-yl)sulfonyl)-2,4-dichlorobenzamide

Calculated chemistry of [ 519055-62-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 82.84
TPSA : 99.86 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.55 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.06
Log Po/w (XLOGP3) : 4.62
Log Po/w (WLOGP) : 5.02
Log Po/w (MLOGP) : 2.78
Log Po/w (SILICOS-IT) : 4.05
Consensus Log Po/w : 3.71

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.47
Solubility : 0.00142 mg/ml ; 0.00000341 mol/l
Class : Moderately soluble
Log S (Ali) : -6.44
Solubility : 0.00015 mg/ml ; 0.000000361 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -6.1
Solubility : 0.000328 mg/ml ; 0.000000791 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.78

Safety of [ 519055-62-0 ]

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 [ 519055-62-0 ]

* 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 [ 519055-62-0 ]

[ 519055-62-0 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 53595-65-6 ]
  • [ 50-84-0 ]
  • [ 519055-62-0 ]
YieldReaction ConditionsOperation in experiment
59% In a round-bottom flask under N2 were introduced respectively 2,4-dichlorobenzoic acid (270 mg, 1.4 mmol), anhydrous THF (30 mL),DMF (4 drops) and oxalyl chloride (470 L, 5.6 mmol). The reaction mixture was stirred overnight at room temperature and then concentrated under reduced pressure. In a round-bottom flask under N2 were introduced respectively 5-bromothiophene-2-sulfonamide (300mg, 1.2 mmol), EtOAc (10 mL), Et3N (300 L, 3.2 mmol) and DMAP (2mg, 0.02 mmol). A solution of 2,4-dichlorobenzoyl chloride, previously prepared in dried toluene (10 mL), was added via a syringe over 15min. The mixture was stirred for 5 h at 55 C under N2, cooled to room temperature and quenched with 0.5 M aqueous HCl solution (40 mL).The resulting mixture was extracted with EtOAc (3 × 600 mL). The combined organic layers were dried over anhydrous MgSO4, filteredand concentrated under reduced pressure. The crude residue was purifiedby silica gel chromatography using DCM as eluent to afford 1k.Yield: 300 mg (59%); yellow solid; mp 114-116 C.1H NMR (400 MHz, CDCl3): = 9.07 (br s, 1 H), 7.74 (d, J = 6.0 Hz, 1 H),7.73 (d, J = 1.6 Hz, 1 H), 7.45 (d, J = 1.9 Hz, 1 H), 7.36 (dd, J = 8.4, 2.0 Hz,1 H), 7.13 (d, J = 4.1 Hz, 1 H).13C NMR (100 MHz, CDCl3): = 162.2, 139.5, 138.6, 136.0, 132.5,131.9, 130.7, 130.5, 129.3, 128.2, 123.3.
  • 2
  • [ 53595-65-6 ]
  • [ 89-75-8 ]
  • [ 519055-62-0 ]
  • 3
  • [ 53595-65-6 ]
  • [ 874-42-0 ]
  • [ 519055-62-0 ]
  • 4
  • [ 53595-65-6 ]
  • [ 50-84-0 ]
  • C10H9BrN2O2S2 [ No CAS ]
  • [ 519055-62-0 ]
YieldReaction ConditionsOperation in experiment
15%; 65% With dmap; 2-chloro-1-methyl-pyridinium iodide; triethylamine; In dichloromethane; at 20℃; for 1h; DCM (2.0 mL) was added to a 20 mL vial containing DMAP (3.81 mg, 0.031 mmol), 2-chloro-1-methylpyridin-1-ium iodide (0.191 g, 0.748 mmol), 2,4-dichlorobenzoic acid (0.119 g, 0.623 mmol), 5-bromothiophene-2-sulfonamide (0.302 g, 1.25 mmol) at rt. After stirring for 5 min, TEA (0.261 ml, 1.869 mmol) was slowly added to the reaction mixture. The reaction was stirred at rt for 1 h. The reaction solvent was concentrated under vacuum and the crude residue was taken up in ethyl acetate, washed with 1N HCl (1 mL), water, and brine. The ethyl acetate layer was separated, dried (Na2SO4), filtered and concentrated. The crude material was purified by silica gel flash column chromatography eluting with ethyl acetate in hexane from 0 to 30% to give the desired product (0.168 g, 65%) as colorless crystals: 1H NMR (499 MHz, CDCl3) δ 7.73 (d, J = 4.1 Hz, 1H), 7.71 (d, J = 8.5 Hz, 1H), 7.45 (d, J = 1.9 Hz, 1H), 7.36 (dd, J = 8.5, 1.9 Hz, 1H), 7.14 (d, J = 4.1 Hz, 1H).
Recommend Products
Same Skeleton Products
Historical Records

Similar Product of
[ 519055-62-0 ]

Chemical Structure| 519055-63-1

A414391[ 519055-63-1 ]

Sodium ((5-bromothiophen-2-yl)sulfonyl)(2,4-dichlorobenzoyl)amide

Reason: Free-salt

; ;