| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| Other Sizes |
| Targets |
The compound itself does not have a specific biological target; it is a research chemical and synthetic building block. Its value lies in its use as a fluorinated intermediate in the synthesis of bioactive molecules that may target various enzymes, receptors, or signaling pathways.
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|---|---|
| ln Vitro |
2,4-Difluororesorcinol is a synthetic intermediate and does not possess direct in vitro biological activity. It is used as a building block for constructing more complex molecules that are then screened for biological activity, such as enzyme inhibition, receptor binding, or cell growth inhibition.
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| ln Vivo |
No in vivo data is available for this intermediate, as it is not an active drug substance. Its utility is in organic synthesis, where the downstream compounds derived from it can be evaluated in animal models of disease, including cancer xenografts, inflammatory disease models, or infection models.
|
| Enzyme Assay |
As a chemical intermediate, the compound is not used in biological enzyme or receptor binding assays. Standard quality control procedures include HPLC for purity assessment (typically >95%), LC-MS for molecular weight confirmation (146.09 g/mol), and NMR for structural elucidation.
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| Cell Assay |
Cell-based assays are not applicable to this synthetic intermediate. However, final compounds synthesized using 2,4-difluororesorcinol as a building block can be evaluated in standard cell viability or functional assays. Typical protocols involve seeding cells in 96-well plates, treating with test compounds for 48-72 hours, and measuring viability by MTT.
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| Animal Protocol |
Animal studies are not conducted directly on this intermediate. For downstream compounds, typical protocols involve establishing subcutaneous xenograft models in immunocompromised mice, administering test compounds (orally or intravenously), and monitoring tumor growth, body weight, and potential toxicity signs.
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| ADME/Pharmacokinetics |
No pharmacokinetic data is available for this intermediate, as it is a synthetic building block rather than a drug candidate. For final drugs derived from this scaffold, the pharmacokinetic properties would be evaluated in appropriate animal models (typically rodents) with LC-MS/MS analysis of plasma samples.
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| Toxicity/Toxicokinetics |
Limited toxicity data is available. According to safety classification, 2,4-difluororesorcinol is classified as Acute Tox. 3 Oral, indicating potential acute toxicity if ingested. It is considered a combustible, acute toxic category 3 compound. Standard safety precautions should be taken when handling this compound.
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| References |
[1]. Sun WC, et al. Synthesis of novel fluorinated coumarins: excellent UV-light excitable fluorescent dyes. Bioorg Med Chem Lett. 1998;8(22):3107-3110.
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| Additional Infomation |
2,4-Difluororesorcinol is a fluorinated building block for research use only. The presence of fluorine atoms at the 2 and 4 positions creates an electron-deficient aromatic system that enhances stability and influences reactivity in cross-coupling reactions. This compound is not a drug and has not entered clinical trials or received regulatory approval.
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| Molecular Formula |
C6H4F2O2
|
|---|---|
| Molecular Weight |
146.09
|
| Exact Mass |
146.018
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| CAS # |
195136-71-1
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| PubChem CID |
10844515
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| Appearance |
Brown to reddish brown solid powder
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| Density |
1.542±0.06 g/cm3(Predicted)
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| Boiling Point |
211.3±35.0 °C(Predicted)
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| Melting Point |
57-88ºC
|
| LogP |
1.376
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
0
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| Heavy Atom Count |
10
|
| Complexity |
120
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC(=C(C(=C1F)O)F)O
|
| InChi Key |
IBNBFQFUGXNAKU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H4F2O2/c7-3-1-2-4(9)5(8)6(3)10/h1-2,9-10H
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| Chemical Name |
2,4-difluorobenzene-1,3-diol
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: 125 mg/mL (855.64 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (14.24 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (14.24 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.8451 mL | 34.2255 mL | 68.4510 mL | |
| 5 mM | 1.3690 mL | 6.8451 mL | 13.6902 mL | |
| 10 mM | 0.6845 mL | 3.4225 mL | 6.8451 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.
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