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. 1191252-49-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1191252-49-9
Chemical Structure| 1191252-49-9
Structure of 1191252-49-9 * 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 [ 1191252-49-9 ]

Related Doc. of [ 1191252-49-9 ]

Alternatived Products of [ 1191252-49-9 ]
Product Citations

Product Details of [ 1191252-49-9 ]

CAS No. :1191252-49-9 MDL No. :MFCD25977119
Formula : C22H15Br2N3O4 Boiling Point : -
Linear Structure Formula :- InChI Key :DSFNLJXHXBIKDS-UHFFFAOYSA-N
M.W : 545.18 Pubchem ID :135565181
Synonyms :
Chemical Name :3-(3,5-Dibromo-4-hydroxyphenyl)-N-(4-phenoxybenzyl)-1,2,4-oxadiazole-5-carboxamide

Calculated chemistry of [ 1191252-49-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 31
Num. arom. heavy atoms : 23
Fraction Csp3 : 0.05
Num. rotatable bonds : 7
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 121.16
TPSA : 97.48 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.75 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.23
Log Po/w (XLOGP3) : 5.46
Log Po/w (WLOGP) : 5.54
Log Po/w (MLOGP) : 3.38
Log Po/w (SILICOS-IT) : 4.79
Consensus Log Po/w : 4.68

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.75
Solubility : 0.0000976 mg/ml ; 0.000000179 mol/l
Class : Poorly soluble
Log S (Ali) : -7.26
Solubility : 0.0000297 mg/ml ; 0.0000000544 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -9.46
Solubility : 0.000000189 mg/ml ; 0.0000000003 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.22

Safety of [ 1191252-49-9 ]

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 [ 1191252-49-9 ]

* 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 [ 1191252-49-9 ]

[ 1191252-49-9 ] Synthesis Path-Downstream   1~3

  • 2
  • [ 1191252-49-9 ]
  • [ 137348-86-8 ]
  • [ 1421276-01-8 ]
YieldReaction ConditionsOperation in experiment
20% [0232] Compound 4 was phosphorylated as schematically shown above. To a solution of compound 4 (4.62 g, 8.47 mmol) in THF (50 mL) was added di-tert-butyl N, N- diisopropylphosphoramidite (5.4 mL, 16.9 mmol) and tetrazole (1.78 g, 25.41 mmol). The reaction was stirred at room temp for 3 h then cooled to -40C and treated with a solution of 3-chloroperoxybenzoic acid (85%, 2.06 g, 10.16 mmol) in CH2C 12 (50 mL). The reaction was stirred for 15 min then partitioned between EtOAc (50 mL) and 10% aqueous Na2S203 (75 mL). The organic layer was then washed with 10% aqueous Na2S203 (50 mL), saturated NaHC03 (50 mL), and brine (75 mL). The organic layer was then dried (MgSC^), filtered, and evaporated. The crude product was purified by flash column chromatography (silica, 50% EtOAc/hexane) to yield the desired phosphate 7 (1 .27 g, 20%) as a pale-yellow oil.
  • 3
  • [ 1191252-49-9 ]
  • [ 229625-50-7 ]
  • [ 1421275-99-1 ]
YieldReaction ConditionsOperation in experiment
40% [0230] Compound 4 (109 mg, 0.2 mmol) was dissolved in dimethylformamide (5 mL), and sodium hydride (60% suspension in mineral oil, 8 mg, 0.2 mmol) was added to it. The resulting solution was stirred for 45 min at room temperature and a solution of phosphoric acid di-tert-butyl ester chloromethyl ester (compound 3, 62 mg, 0.24 mmol) in dimethylformamide (2.5 mL) was slowly added. The reaction was stirred overnight at 50C. The mixture was then diluted with dichloromethane (60 mL). The organic phase was washed with water (30 mL), aqueous saturated NaHC03 (30 mL), and brine (two times 20 mL), dried over Na2S04, and filtered. The crude product was purified by flash column chromatography (silica, 50% Ethyl acetate (EtOAc)/hexane) to yield the desired phosphate compound 5 (61 mg, 40% yield) as a pale-yellow oil.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;