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. 914349-07-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 914349-07-8
Chemical Structure| 914349-07-8
Structure of 914349-07-8 * 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 [ 914349-07-8 ]

Related Doc. of [ 914349-07-8 ]

Alternatived Products of [ 914349-07-8 ]
Product Citations

Product Details of [ 914349-07-8 ]

CAS No. :914349-07-8 MDL No. :MFCD05864712
Formula : C14H16N2O5 Boiling Point : -
Linear Structure Formula :- InChI Key :ZMPACHXTNKWGMG-UHFFFAOYSA-N
M.W : 292.29 Pubchem ID :40428534
Synonyms :

Calculated chemistry of [ 914349-07-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.36
Num. rotatable bonds : 5
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 79.09
TPSA : 97.28 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.55
Log Po/w (XLOGP3) : 2.21
Log Po/w (WLOGP) : 2.67
Log Po/w (MLOGP) : 1.08
Log Po/w (SILICOS-IT) : -0.16
Consensus Log Po/w : 1.67

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.03
Solubility : 0.272 mg/ml ; 0.00093 mol/l
Class : Soluble
Log S (Ali) : -3.89
Solubility : 0.0379 mg/ml ; 0.00013 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.56
Solubility : 0.805 mg/ml ; 0.00275 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.62

Safety of [ 914349-07-8 ]

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 [ 914349-07-8 ]

* 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 [ 914349-07-8 ]

[ 914349-07-8 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 24424-99-5 ]
  • [ 215998-12-2 ]
  • [ 914349-07-8 ]
  • 2
  • [ 914349-07-8 ]
  • [ 1240467-07-5 ]
  • 3
  • [ 6146-52-7 ]
  • [ 914349-07-8 ]
  • 4
  • [ 6625-96-3 ]
  • [ 914349-07-8 ]
  • 5
  • C14H14N2O5 [ No CAS ]
  • [ 914349-07-8 ]
YieldReaction ConditionsOperation in experiment
91% With methanol; sodium tetrahydroborate; at 20℃; for 0.5h;Cooling with ice; Compound 3 (3.3 g, 11.4 mmol) was added to 60 ml of methanol under an ice bath and then added to NaBH4 (0.93 g, 24.6 mmol) and then moved to room temperature for 0.5 h. Finally, the reaction was quenched with acetone, concentrated, and separated on a silica gel column (PE:EA=3:1) to give 3.03 g of a brown-yellow solid with a yield of 91% and a purity of 96.57%
  • 6
  • [ 914349-07-8 ]
  • C14H15ClN2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
67% With thionyl chloride; In dichloromethane; at 0 - 20℃; for 1.5h; Compound 4 (2.78 g, 9.5 mmol) was added to 40 ml of DCM, and then at 0 C., thionyl chloride (2.75 ml, 37.8 mmol) was added to the above reaction solution, and the reaction solution was moved to room temperature to react 1.5. h. The reaction mixture was quenched with water and extracted with DCM (X 3), dried over anhydrous magnesium sulfate, concentrated under reduced pressure, and separated on a silica gel column (PE: EA = 4:1) to give 2.0 g of a white solid. Yield 67%, purity 95.7%
  • 7
  • [ 914349-07-8 ]
  • C20H19FN2O4S [ No CAS ]
  • 8
  • [ 914349-07-8 ]
  • C20H21FN2O2S [ No CAS ]
  • 9
  • [ 914349-07-8 ]
  • C25H25FN4O3S [ No CAS ]
  • 10
  • [ 914349-07-8 ]
  • C20H17FN4OS [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;