| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
|
||
| 500mg |
|
| Targets |
This intermediate does not have a biological target. It is a building block for drug candidates. The final products may target enzymes or receptors, but the intermediate itself is not active.
|
|---|---|
| ln Vitro |
In vitro, this compound is used in Suzuki and other coupling reactions to introduce aryl groups. It is also used in the synthesis of anti‑inflammatory and anticancer agents. Its chemical stability and reactivity make it a useful reagent.
|
| ln Vivo |
In vivo, it is not a therapeutic agent.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable. Characterization includes HPLC, NMR, and MS.
|
| Cell Assay |
In vitro cellular assays are not performed.
|
| Animal Protocol |
In vivo animal studies are not conducted.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data are not available.
|
| Toxicity/Toxicokinetics |
The compound is a laboratory chemical; handle with standard precautions.
|
| Additional Infomation |
Ethyl 4‑bromo‑3‑(ethoxymethyl)benzoate is a research intermediate used in medicinal chemistry. It is not approved for clinical use.
|
| Molecular Formula |
C12H15BRO3
|
|---|---|
| Molecular Weight |
287.149703264236
|
| Exact Mass |
286.02
|
| CAS # |
948349-66-4
|
| PubChem CID |
22574670
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
2.8
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
16
|
| Complexity |
220
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
BrC1=CC=C(C(=O)OCC)C=C1COCC
|
| InChi Key |
GGIIWTIYJXDCQU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C12H15BrO3/c1-3-15-8-10-7-9(5-6-11(10)13)12(14)16-4-2/h5-7H,3-4,8H2,1-2H3
|
| Chemical Name |
ethyl 4-bromo-3-(ethoxymethyl)benzoate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.4825 mL | 17.4125 mL | 34.8250 mL | |
| 5 mM | 0.6965 mL | 3.4825 mL | 6.9650 mL | |
| 10 mM | 0.3483 mL | 1.7413 mL | 3.4825 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
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