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. 95-23-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 95-23-8
Chemical Structure| 95-23-8
Structure of 95-23-8 * 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 [ 95-23-8 ]

Related Doc. of [ 95-23-8 ]

Alternatived Products of [ 95-23-8 ]
Product Citations

Product Details of [ 95-23-8 ]

CAS No. :95-23-8 MDL No. :MFCD00053555
Formula : C7H7N3O Boiling Point : -
Linear Structure Formula :- InChI Key :BCXSVFBDMPSKPT-UHFFFAOYSA-N
M.W : 149.15 Pubchem ID :66765
Synonyms :

Calculated chemistry of [ 95-23-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 3.0
Molar Refractivity : 43.32
TPSA : 74.67 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.9 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.76
Log Po/w (XLOGP3) : 0.44
Log Po/w (WLOGP) : 0.45
Log Po/w (MLOGP) : 0.25
Log Po/w (SILICOS-IT) : 1.45
Consensus Log Po/w : 0.67

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.65
Solubility : 3.36 mg/ml ; 0.0225 mol/l
Class : Very soluble
Log S (Ali) : -1.58
Solubility : 3.96 mg/ml ; 0.0266 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.44
Solubility : 0.542 mg/ml ; 0.00363 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.48

Safety of [ 95-23-8 ]

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 [ 95-23-8 ]

* 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 [ 95-23-8 ]

[ 95-23-8 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 95-23-8 ]
  • [ 1570-05-4 ]
  • [ 870090-75-8 ]
YieldReaction ConditionsOperation in experiment
45.7% With benzotriazol-1-ol; diisopropyl-carbodiimide; In DMF (N,N-dimethyl-formamide); at 20℃; for 16h; D) 3, 4-Dibenzyloxy-(5-N-2-oxo-2, 3-dihydro-1H-benzoimidazolyl) benzamide.; 1,3- N, N-Diisopropylcarbodiimde (0.945 g; 7.5 mmol) was added to a solution of 3,4-dibenzyloxy benzoic acid (1.67 g, 5 mmol), 5-amino-2, 3-dihydro-lH- benzoimidazol-5-one (0.745 g, 5 mmol) and 1-hydroxybenzotriazole (0.675 g, 5 mmol) in anhydrous N, N - dimethylformamide (20 ml). After stirring for 16 hrs at room temperature the reaction mixture was poured in water (100 ml). The pH of the mixture was adjusted to 2 with IN hydrochloric acid and stirred for 30 minutes. Filtration and washing the product with ethyl acetate (3 x 10 ml) provided 1.06 grams of 3,4-dibenzyloxy-(5-N-2-oxo-2, 3-dihydro-1H-benzoimidazolyl) benzamide. (Yield = 45.7percent). 1H NMR (CD3)2SO 9.94 (1H, s) 7.65 - 7.2 (14H, m) 7.09 (2H, d, J 8Hz) 5.1 (4H, s)
  • 2
  • [ 234082-35-0 ]
  • [ 95-23-8 ]
  • methyl 3-chloro-4-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)amino)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
1% To a solution of compound 10f (834 mg, 4.4 mmol) and compound9 (550 mg, 3.7 mmol) in DMSO (5 mL) was added DIPEA(1.3 mL, 7.4 mmol) at rt. The mixture was stirred at 100 C for 1d and heated under microwave irradiation at 160 C for 2 h. Thereaction mixture was cooled to rt, diluted with EtOAc and water,and extracted with EtOAc. The extract was washed with waterand brine, dried over Na2SO4, and then evaporated. The residualsolid was suspended in EtOAc and insoluble materials wereremoved by filtration. The filtrate was purified by silica gel columnchromatography (EtOAc:MeOH = 10:0 to 9:1). The fractions werecombined and evaporated. The residual solid was suspended inEtOAc, collected by filtration, washed with EtOAc, and dried to givecompound 1f (17 mg, 0.05 mmol, 1%) as an off-white solid. 1HNMR(DMSO-d6) d 3.78 (3H, s), 6.80-6.95 (4H, m), 7.66 (1H, dd, J = 8.7,2.0 Hz), 7.85 (1H, d, J = 2.0 Hz), 8.03 (1H, s), 10.61 (1H, brs), 10.62(1H, brs). MS m/z 318 (M+H)+. Mp 304-306 C. Anal. Calcd for C15-H12ClN3O30.3H2O: C, 55.75; H, 3.93; N, 13.00. Found: C, 55.93; H,3.86; N, 12.75.
  • 3
  • [ 95-23-8 ]
  • [ 475216-25-2 ]
  • N-methyl-3-nitro-4-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)amino)benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 120℃; A stirred solution of <strong>[475216-25-2]4-fluoro-N-methyl-3-nitrobenzamide</strong>46 (200 mg), 5-amino-lH- benzo[d]imidazol-2(3H)-one50 (151 mg) and N,N-diisopropylethylamine (264 mu) in N-methyl-2- pyrrolidinone (1 ml) was heated at 120 C overnight. The reaction mixture was then cooled to room temperature and the crude product was collected by filtration, washed with water, and then dried in vacuo at 40 C to afford N-methyl-3-nitro-4-((2-oxo-2,3-dihydro-lH-benzo[d]imidazol- 5-yl)amino)benzamide (296 mg, 90%) as a red solid which was used in the next step without further purification. MS (ISP): 328.0 ([M+H]+).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;