成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 29547-04-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 29547-04-4
Chemical Structure| 29547-04-4
Structure of 29547-04-4 * 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 [ 29547-04-4 ]

Related Doc. of [ 29547-04-4 ]

Alternatived Products of [ 29547-04-4 ]
Product Citations

Product Details of [ 29547-04-4 ]

CAS No. :29547-04-4 MDL No. :MFCD00130152
Formula : C5H8Br2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :DQHIGEQXJBMKKY-UHFFFAOYSA-N
M.W : 259.92 Pubchem ID :296716
Synonyms :

Calculated chemistry of [ 29547-04-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.17
TPSA : 26.3 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.42 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.2
Log Po/w (XLOGP3) : 2.06
Log Po/w (WLOGP) : 1.71
Log Po/w (MLOGP) : 1.96
Log Po/w (SILICOS-IT) : 1.85
Consensus Log Po/w : 1.96

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.49
Solubility : 0.85 mg/ml ; 0.00327 mol/l
Class : Soluble
Log S (Ali) : -2.24
Solubility : 1.49 mg/ml ; 0.00574 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.52
Solubility : 0.781 mg/ml ; 0.00301 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.5

Safety of [ 29547-04-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 29547-04-4 ]

* 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 [ 29547-04-4 ]

[ 29547-04-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 29547-04-4 ]
  • [ 2105-96-6 ]
  • methyl 4-bromo-2-(4-fluoro-3-nitrophenoxy)butanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
93% With caesium carbonate; In N,N-dimethyl-formamide; at 20 - 50℃; for 3h; <strong>[2105-96-6]4-<strong>[2105-96-6]fluoro-3-nitrophenol</strong></strong> (500 mg, 3.18 mmol) was dissolved in DMF (6365 mu) at room temperature. Cesium Carbonate (1244 mg, 3.82 mmol) was added followed by methyl 2,4-dibromobutanoate (910 mg, 3.50 mmol). The mixture was stirred at room temperature for 2 hours and then heated to 50 C for an additional hour. The reaction was diluted with 1/2 saturated NaCl solution (aq), extracted with EtOAc, dried with Na2S04, filtered and concentrated to give 93 A (tan oil, 0.99 g, 2.95 mmol, 93percent) NMR (400 MHz, chloroform-d) delta: 8.01 (s, 1H), 7.56-7.60 (m, 1H), 7.20-7.24 (m, 1H), 4.91 (dd, J=8.4, 4.4 Hz, 1H), 3.79 (s, 3H), 3.60 (dd, J=7.5, 5.3 Hz, 2H), 2.42-2.58 (m, 2H)
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;