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. 486460-26-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 486460-26-8
Chemical Structure| 486460-26-8
Structure of 486460-26-8 * 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 [ 486460-26-8 ]

Related Doc. of [ 486460-26-8 ]

Alternatived Products of [ 486460-26-8 ]
Product Citations

Product Details of [ 486460-26-8 ]

CAS No. :486460-26-8 MDL No. :MFCD11847046
Formula : C7H5BrF2O Boiling Point : No data available
Linear Structure Formula :- InChI Key :CXEWREITGADCOJ-UHFFFAOYSA-N
M.W : 223.01 Pubchem ID :53401418
Synonyms :

Calculated chemistry of [ 486460-26-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 40.19
TPSA : 20.23 ?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) : -6.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.06
Log Po/w (XLOGP3) : 1.93
Log Po/w (WLOGP) : 2.91
Log Po/w (MLOGP) : 3.15
Log Po/w (SILICOS-IT) : 3.2
Consensus Log Po/w : 2.65

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.78
Solubility : 0.373 mg/ml ; 0.00167 mol/l
Class : Soluble
Log S (Ali) : -1.98
Solubility : 2.34 mg/ml ; 0.0105 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.65
Solubility : 0.0505 mg/ml ; 0.000226 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.52

Safety of [ 486460-26-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 486460-26-8 ]

* 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 [ 486460-26-8 ]

[ 486460-26-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 357405-75-5 ]
  • [ 486460-26-8 ]
YieldReaction ConditionsOperation in experiment
94.47% With sodium tetrahydroborate; In methanol; at 80℃; for 0.5h; NaBH4 (128.38 mg, 3.39 mmol) was added to a solution of 150.00 g Compound BD1- 1 (i.e., <strong>[357405-75-5]4-bromo-2,5-difluorobenzaldehyde</strong>) in MeOH (4.00 mL). The mixture was stirred at 80C for 30 minutes. TLC indicated Compound BDl-l was consumed completely in this reaction time. An additional compound with a larger polarity than Compound BDl-l was measured. The reaction mixture was concentrated to remove MeOH, then diluted with saturated NaHC03 (4 ml), extracted with DCM (5 mL * 3), the combined organic layer was washed with saturated brine (5 mL * 2), dried over Na2S04, filtered and concentrated to give a residue. The residue was purified by prep-TLC (S1O2, Petroleum ether:Ethyl acetate mixture with a ratio of 3: 1) to afford Compound BDl-2 (143.00 mg, 641.23 tauetaomicron, 94.47% yield) as a white solid.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;