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. 63931-22-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 63931-22-6
Chemical Structure| 63931-22-6
Structure of 63931-22-6 * 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 [ 63931-22-6 ]

Related Doc. of [ 63931-22-6 ]

Alternatived Products of [ 63931-22-6 ]
Product Citations

Product Details of [ 63931-22-6 ]

CAS No. :63931-22-6 MDL No. :MFCD16988271
Formula : C5H5BrClN3S Boiling Point : -
Linear Structure Formula :- InChI Key :OEEBWZSZLZXUBI-UHFFFAOYSA-N
M.W : 254.54 Pubchem ID :12369427
Synonyms :

Calculated chemistry of [ 63931-22-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.2
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 50.87
TPSA : 77.1 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.99
Log Po/w (XLOGP3) : 2.35
Log Po/w (WLOGP) : 2.2
Log Po/w (MLOGP) : 1.39
Log Po/w (SILICOS-IT) : 2.13
Consensus Log Po/w : 2.01

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.24
Solubility : 0.148 mg/ml ; 0.00058 mol/l
Class : Soluble
Log S (Ali) : -3.61
Solubility : 0.0626 mg/ml ; 0.000246 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.26
Solubility : 0.139 mg/ml ; 0.000545 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.16

Safety of [ 63931-22-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 63931-22-6 ]

* 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 [ 63931-22-6 ]

[ 63931-22-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1005-38-5 ]
  • [ 63931-22-6 ]
YieldReaction ConditionsOperation in experiment
With N-Bromosuccinimide; In dichloromethane; at 20℃; for 1h; To a cold stirring solution of 10 g (52.2 mmol) 6-chloro-2- (methylsulfinyl)pyrimidine-4-amine in 450 ml of DCM, 10 g (56.2 mmol) of N- bromosuccinimide were added, and stirring was continued for 1 hour at room temperature to provide 5-bromo-6-chloro-2-(methylthio)pyrimidine-4-amine, which was used without further purification in the next step (see intermediate 3). The end of the reaction is followed by thin layer chromatography.
With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 0℃; for 0.166667h; To a cooled solution of 6-chloro-2-(methylthio)pyrimidin-4-amine (15.0 g, 85 mmol) in DM F (150 ml) was added N-bromosuccinimide (16.7 g, 94 mmol) portionwise with stirring at 0 °C. After 10 min the reaction was quenched by the addition of water at 0 °C. The reaction mixture was diluted with brine and extracted 3 times with EtOAc. The combined organic phases were washed twice with saturated aqueous NaHC03solution, then brine, separated, and filtered through a phase separator with Na2S04to dry. The filtrate was concentrated in vacuo to give the title compound (18.8 g, 74 mmol, 80 percent yield, 92percent purity) as colorless solid which was used in the next step without further purification. M/z = 254/256/258 [M+H]+, Rt = 0.95 min (UPLC 2 min), 1 H NMR (600 MHz, DMSO-d6) delta 8.03 (br s, 1 H), 7.25 (br s, 1 H), 2.42 (s, 3H).
  • 2
  • [ 7726-95-6 ]
  • [ 1005-38-5 ]
  • [ 63931-22-6 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;