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. 58966-93-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 58966-93-1
Chemical Structure| 58966-93-1
Structure of 58966-93-1 * 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 [ 58966-93-1 ]

Related Doc. of [ 58966-93-1 ]

Alternatived Products of [ 58966-93-1 ]
Product Citations

Product Details of [ 58966-93-1 ]

CAS No. :58966-93-1 MDL No. :MFCD00074887
Formula : C6H18Cl3N3 Boiling Point : -
Linear Structure Formula :- InChI Key :HNPMVNQYFPWBKI-UHFFFAOYSA-N
M.W : 238.59 Pubchem ID :2724990
Synonyms :

Calculated chemistry of [ 58966-93-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 3.0
Molar Refractivity : 69.89
TPSA : 36.09 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -7.42 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.47
Log Po/w (WLOGP) : 0.03
Log Po/w (MLOGP) : 0.34
Log Po/w (SILICOS-IT) : 0.62
Consensus Log Po/w : 0.29

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.62
Solubility : 5.79 mg/ml ; 0.0242 mol/l
Class : Very soluble
Log S (Ali) : -0.8
Solubility : 38.1 mg/ml ; 0.16 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.66
Solubility : 5.17 mg/ml ; 0.0217 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.03

Safety of [ 58966-93-1 ]

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 [ 58966-93-1 ]

* 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 [ 58966-93-1 ]

[ 58966-93-1 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 5862-32-8 ]
  • [ 58966-93-1 ]
  • [ 121252-88-8 ]
  • 3
  • [ 52667-89-7 ]
  • [ 58966-93-1 ]
YieldReaction ConditionsOperation in experiment
60% The fourth product (13 g, 22 mmol) was dissolved in concentrated sulfuric acid (30 ml) in a 500 ml round bottom flask and heated to 100 C for 48 hours. First cool in an ice bath at 0 C for 30 minutes.The ice bath was continued and 150 ml of 8 M aqueous HCl was slowly added dropwise (three hours was required).Pour the solution into a 1000ml plastic bottle and place in an ice bath.And slowly poured 450 ml of diethyl ether in batches. In an ice bath, stir with a glass rod for 10 minutes.The magnet was stirred vigorously for 110 minutes. The solid was collected by filtration and the solid was washed with 100 ml of diethyl ether. The vacuum is pumped overnight to obtain the final product of light gray solid (TACN 3HCL)(1.7g, 60%).
60% Lastly the final product of the present invention is prepared by taking a 500 ml round-bottom flask and dissolving 13 g (22 mmol) fourth product in 30 ml concentrated sulfuric acid therein. The solution is heated to 100 C. and reacted for 48 hours. After being cooled in an ice bath at 0 C. for 30 minutes, the solution is maintained in the ice bath and 150 ml 8M hydrochloric acid aqueous solution is slowly dropped into the solution of the fourth product (it takes about 3 hours). The mixed solution is poured into a 1000 ml plastic bottle. Then the plastic bottle is placed in an ice bath and 450 ml ether is slowly dropped into the mixed solution in batches. First use a glass rod to stir the mixture for 10 minutes and then use a magnetic mixer to stir the mixture vigorously for 110 minutes in the ice bath. Filter the mixture to get the solid, wash the solid with 100 ml ether and then vacuum dry the solid overnight to get the final product (TACN.3HCL), light gray solid, 1.7 g (60%).
1,4,7-Triazacyclononane Ligand 1,4,7-triazacyclononane was produced according the modified method used by the team of Prof. Wieghardt. In this method the detosylation of the 1,4,7-tris-p-toluenesulfon 1,4,7-triazacylononanamide is performed in 5 minutes in hot sulphuric acid of 180 C. Once the solution has cooled down it is transferred into ether under vigorous stirring. The solution that surfaces is decanted and the residue is dissolved in some boiling water. At boiling temperature drops of concentrated hydrochloric acid are added. The brown crystals that precipitate are drained off and washed with cold hydrochloric acid and then with ethanol and ether. The 1,4,7-triazacyclononane. trihydrochloride thus produced is then processed further as described by Wieghardt et al (K. Wieghardt et al, Chem Ber., 112, 2200 (1979)). _
  • 4
  • [ 76-83-5 ]
  • [ 58966-93-1 ]
  • 1,4-bis(triphenylmethyl)-1,4,7-triazacyclononane [ No CAS ]
  • 1,4,7-tris(triphenylmethyl)-1,4,7-triazacyclononane [ No CAS ]
  • 5
  • [ 50-00-0 ]
  • [ 58966-93-1 ]
  • [ 1498-40-4 ]
  • [4,7-Bis-(ethyl-hydroxy-phosphinoylmethyl)-[1,4,7]triazonan-1-ylmethyl]-ethyl-phosphinic acid; hydrochloride [ No CAS ]
  • 6
  • [ 67217-55-4 ]
  • [ 58966-93-1 ]
  • C48H83N3O34 [ No CAS ]
  • 7
  • [ 24852-71-9 ]
  • [ 58966-93-1 ]
  • [ 226383-46-6 ]
  • 8
  • [ 58966-93-1 ]
  • [ 49668-99-7 ]
  • [ 618382-05-1 ]
  • 9
  • [ 4637-24-5 ]
  • [ 58966-93-1 ]
  • [ 67705-38-8 ]
  • 10
  • [ 894810-38-9 ]
  • [ 58966-93-1 ]
  • C72H81N9O9 [ No CAS ]
  • 11
  • [ 58966-93-1 ]
  • [ 49668-99-7 ]
  • 1-[(6-ethoxycarbonylpyridin-2-yl)methyl]-1,4,7-triazacyclononane [ No CAS ]
  • [ 915007-66-8 ]
  • [ 618382-05-1 ]
  • 12
  • [ 5862-32-8 ]
  • [ 58966-93-1 ]
  • [ 934559-77-0 ]
  • 13
  • [ 58966-93-1 ]
  • [ 915067-66-2 ]
  • 14
  • [ 58966-93-1 ]
  • [ 915007-67-9 ]
  • 15
  • [ 58966-93-1 ]
  • [ 618382-06-2 ]
  • 16
  • [ 58966-93-1 ]
  • [ 112498-58-5 ]
Recommend Products
Same Skeleton Products
Historical Records
; ;