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. 13708-12-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 13708-12-8
Chemical Structure| 13708-12-8
Structure of 13708-12-8 * 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 [ 13708-12-8 ]

Related Doc. of [ 13708-12-8 ]

Alternatived Products of [ 13708-12-8 ]
Product Citations

Product Details of [ 13708-12-8 ]

CAS No. :13708-12-8 MDL No. :MFCD00012335
Formula : C9H8N2 Boiling Point : -
Linear Structure Formula :(CH3)C8H5N2 InChI Key :CQLOYHZZZCWHSG-UHFFFAOYSA-N
M.W : 144.17 Pubchem ID :61670
Synonyms :

Calculated chemistry of [ 13708-12-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.11
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.5
TPSA : 25.78 ?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) : -5.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.8
Log Po/w (XLOGP3) : 2.04
Log Po/w (WLOGP) : 1.94
Log Po/w (MLOGP) : 1.19
Log Po/w (SILICOS-IT) : 2.45
Consensus Log Po/w : 1.88

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.69
Solubility : 0.293 mg/ml ; 0.00203 mol/l
Class : Soluble
Log S (Ali) : -2.21
Solubility : 0.89 mg/ml ; 0.00617 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.69
Solubility : 0.0294 mg/ml ; 0.000204 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.28

Safety of [ 13708-12-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 13708-12-8 ]

* 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 [ 13708-12-8 ]

[ 13708-12-8 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 13708-12-8 ]
  • [ 817165-91-6 ]
  • 2
  • [ 13708-12-8 ]
  • [ 817165-91-6 ]
  • 5-methylquinoxaline N,N'-dioxide [ No CAS ]
  • 3
  • [ 517-21-5 ]
  • [ 2687-25-4 ]
  • [ 13708-12-8 ]
  • 5
  • [ 84312-25-4 ]
  • [ 933-67-5 ]
  • [ 13708-12-8 ]
  • [ 62-53-3 ]
  • [ 100-61-8 ]
  • 6
  • (2,6-Dimethyl-phenyl)-[2-(phenyl-hydrazono)-eth-(Z)-ylidene]-amine [ No CAS ]
  • [ 933-67-5 ]
  • [ 13708-12-8 ]
  • 7
  • [ 131543-46-9 ]
  • [ 2687-25-4 ]
  • [ 13708-12-8 ]
YieldReaction ConditionsOperation in experiment
98% With 10 wtpercent sulfated polyborate; In neat (no solvent); at 100℃; for 0.05h;Green chemistry; General procedure: To a mixture of substituted o-phenylenediamines derivative(2.0 mmol) and 1,2-diketone / alpha-hydroxy ketone (2.0 mmol),was added sulfated polyborate (10 wt%). The reaction mixture was stirred at 100 C in an oil bath. The reaction was monitored by thin layer chromatography (TLC). After completion of the reaction, the mixture was cooled to room temperature and quenched by water. The resultant product was filtered/extracted with EtOAc to get the product. Crude products were either recrystallized from ethanol or purified by column chromatography using silica as the stationary phase and EtOAc: pet. ether as mobile phase. The products obtained were known compounds and were identified by melting point and 1H and 13C NMR spectroscopy. The spectral data were compared with the literature values.
  • 8
  • [2-(Phenyl-hydrazono)-eth-(E)-ylidene]-o-tolyl-amine [ No CAS ]
  • [ 91-19-0 ]
  • [ 13708-12-8 ]
  • 9
  • [2-(Phenyl-hydrazono)-eth-(E)-ylidene]-m-tolyl-amine [ No CAS ]
  • [ 6344-72-5 ]
  • [ 13708-12-8 ]
Recommend Products
Same Skeleton Products
Historical Records

Related Parent Nucleus of
[ 13708-12-8 ]

Quinoxalines

Chemical Structure| 6344-72-5

[ 6344-72-5 ]

6-Methylquinoxaline

Similarity: 0.95

Chemical Structure| 6298-37-9

[ 6298-37-9 ]

Quinoxalin-6-amine

Similarity: 0.86

Chemical Structure| 17635-21-1

[ 17635-21-1 ]

2,3,6-Trimethylquinoxaline

Similarity: 0.83

Chemical Structure| 141234-08-4

[ 141234-08-4 ]

Quinoxaline-5-carbaldehyde

Similarity: 0.82

Chemical Structure| 53967-21-8

[ 53967-21-8 ]

6-(Bromomethyl)quinoxaline

Similarity: 0.82

; ;