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. 17408-16-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 17408-16-1
Chemical Structure| 17408-16-1
Structure of 17408-16-1 * 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 [ 17408-16-1 ]

Related Doc. of [ 17408-16-1 ]

Alternatived Products of [ 17408-16-1 ]
Product Citations

Product Details of [ 17408-16-1 ]

CAS No. :17408-16-1 MDL No. :MFCD00051516
Formula : C9H9NO3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :VSPOTMOYDHRALZ-UHFFFAOYSA-N
M.W : 179.17 Pubchem ID :87096
Synonyms :

Calculated chemistry of [ 17408-16-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 50.27
TPSA : 62.89 ?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) : -6.05 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.62
Log Po/w (XLOGP3) : 1.89
Log Po/w (WLOGP) : 2.19
Log Po/w (MLOGP) : 0.91
Log Po/w (SILICOS-IT) : 0.34
Consensus Log Po/w : 1.39

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.29
Solubility : 0.929 mg/ml ; 0.00519 mol/l
Class : Soluble
Log S (Ali) : -2.83
Solubility : 0.263 mg/ml ; 0.00147 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.52
Solubility : 0.545 mg/ml ; 0.00304 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.75

Safety of [ 17408-16-1 ]

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

Application In Synthesis of [ 17408-16-1 ]

* 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 [ 17408-16-1 ]

[ 17408-16-1 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 463-04-7 ]
  • [ 17408-16-1 ]
  • [ 98879-69-7 ]
  • 2
  • [ 17408-16-1 ]
  • 5-ethyl-5-(3-nitro-phenyl)-imidazolidine-2,4-dione [ No CAS ]
  • 3
  • [ 17408-16-1 ]
  • [ 67531-69-5 ]
  • 4
  • [ 17408-16-1 ]
  • [ 1197-05-3 ]
YieldReaction ConditionsOperation in experiment
Pt/C; In diethyl ether; PREPARATION 72 3-Aminopropiophenone (Formula R-2) Refer to Chart R To a solution of <strong>[17408-16-1]3-nitropropiophenone</strong> (Formula R-1) (1.79 g) in diethyl ether is added 5% Pt/C catalyst (0.20 g). The resulting suspension is placed under a hydrogen gas atmosphere and stirred for 6 hours. The reaction mixture is filtered through a pad of Celite and the pad washed with additional portions of diethyl ether. The combined filtrates are concentrated under reduced pressure to provide 1.49 g of the title compound as pale yellow, low melting solid. Physical characteristics are as follows: 1 H NMR delta1.2, 3.0, 6.9, 7.2-7.4
  • 5
  • [ 17408-16-1 ]
  • [ 2524-81-4 ]
  • 6
  • [ 17408-16-1 ]
  • [ 90-02-8 ]
  • 3-methyl-2-(3-nitro-phenyl)-chromenylium; perchlorate [ No CAS ]
  • 7
  • [ 17408-16-1 ]
  • [ 100-63-0 ]
  • [ 113613-40-4 ]
  • 9
  • [ 93-55-0 ]
  • [ 17408-16-1 ]
  • [ 98879-69-7 ]
  • 10
  • [ 17408-16-1 ]
  • [ 29067-53-6 ]
YieldReaction ConditionsOperation in experiment
With methanol; sodium tetrahydroborate; at 0 - 20℃; for 1h; Example 11 : Preparation of compound 1045Step 1 :<strong>[17408-16-1]3-Nitropropiophenone</strong> (300 mg, 1.67 mmol, Aldrich) is dissolved in MeOH (16 mL) and cooled to 0C. Sodium borohydride (76 mg, 2.00 mmol) is added and the reaction mixture is stirred for 1 h at RT. The reaction mixture is concentrated under vacuum to dryness. The crude material is purified by flash chromatography (25% EtOAc in Hex to 35% EtOAc in Hex) to isolate product 11.1.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;