天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 280566-45-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 280566-45-2
Chemical Structure| 280566-45-2
Structure of 280566-45-2 * 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 [ 280566-45-2 ]

Related Doc. of [ 280566-45-2 ]

Alternatived Products of [ 280566-45-2 ]
Product Citations

Product Details of [ 280566-45-2 ]

CAS No. :280566-45-2 MDL No. :MFCD01862658
Formula : C7H3ClF3NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :DXRBTBMFFGEVCX-UHFFFAOYSA-N
M.W : 225.55 Pubchem ID :2778210
Synonyms :

Calculated chemistry of [ 280566-45-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 1.0
Molar Refractivity : 41.21
TPSA : 50.19 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.07 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.29
Log Po/w (XLOGP3) : 2.26
Log Po/w (WLOGP) : 3.6
Log Po/w (MLOGP) : 0.56
Log Po/w (SILICOS-IT) : 2.45
Consensus Log Po/w : 2.03

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.85
Solubility : 0.321 mg/ml ; 0.00142 mol/l
Class : Soluble
Log S (Ali) : -2.95
Solubility : 0.253 mg/ml ; 0.00112 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.91
Solubility : 0.278 mg/ml ; 0.00123 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.75

Safety of [ 280566-45-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 280566-45-2 ]

* 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 [ 280566-45-2 ]

[ 280566-45-2 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 68957-94-8 ]
  • [ 3775-61-9 ]
  • [ 280566-45-2 ]
  • [ 1398546-23-0 ]
YieldReaction ConditionsOperation in experiment
28% With dmap; triethylamine; In tetrahydrofuran; dichloromethane; 2. Preparation of 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)nicotinamide (Ex. No. 7-3) 200 mg (0.887 mmol) of 2-chloro-6-(trifluoromethyl)nicotinic acid and 100 mg (0.887 mmol) of 5-ethyl-1,3,4-oxadiazol-2-amine are dissolved at RT in 8 ml of CH2Cl2. Then 846 mg (1.33 mmol) of 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxide (50% solution in THF) are added, the mixture is stirred at RT for one hour and then 0.618 ml (4.43 mmol) of triethylamine, 22 mg (0.177 mmol) of 4-dimethylaminopyridine are added. The reaction mixture is stirred at RT for 20 h and then washed twice with 4 ml each time of water, dried over sodium sulfate and concentrated. The residue is purified by column chromatography (prep. HPLC; acetonitrile/water). Yield 80 mg (28%). 1H NMR (400 MHz; DMSO-d6): 12.59 ppm (s broad 1H); 8.49 (d, 1H), 8.11 (d, 1H), 2.85 (q, 2H), 1.28 (t, 3H).
  • 2
  • [ 35216-39-8 ]
  • [ 280566-45-2 ]
  • 2-chloro-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
51.3% With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In chloroform; at 20℃; for 96h; A mixture of HBTU (185 mg, 0.490 mmol), DIPEA (170 gL, 0.980 mmol), 2- chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid (100 mg, 0.440 mmol) and 3- methylsulfonylaniline (79.7 mg, 0.470 mmol) in chloroform (5 mL) was stirred at room temperature for 4 days (for convenience). The contents were treated with 5% Na2C03 and extracted with CHCb (3x). The organic extracts were combined and the solvent removed in vacuo to give a residue which was purified by automated normal- phase chromatography (0-100% EtO Ac/heptane, 12 g silica gel cartridge) to give 2- chloro-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (86.2 mg, 0.229 mmol, 51.3 % yield) as ayellow solid. MS, ES+m/z 379.0 [M+H]+. -NMR (400 MHz, DMSO-rie) 5 11.19 (s, 1 H), 8.48 (d, J=7.83 Hz, 1 H), 8.37 (t, J=l .77 Hz, 1 H), 8.17 (d, J=7.58 Hz, 1 H), 7.92 (dt, J=7.7l, 1.83 Hz, 1 H), 7.72 - 7.76 (m, 1 H), 7.67 - 7.72 (m, 1 H), 3.25 (s, 3 H).
  • 3
  • [ 35216-39-8 ]
  • [ 280566-45-2 ]
  • 2-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;