| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Benzalphthalide does not have a biological target in the context of pharmacology. It is a chemical intermediate used in organic synthesis. Its applications are in the laboratory for the preparation of other compounds. It is not intended for use as a therapeutic agent.
|
|---|---|
| ln Vitro |
In vitro, benzalphthalide is not used for biological assays. Its activity is strictly chemical, serving as a building block in organic synthesis. It can be used in reactions such as condensation, reduction, and cyclization to synthesize more complex molecules.
|
| ln Vivo |
Benzalphthalide is not used for in vivo applications, as it is not a drug. It has no known therapeutic effects and is not administered to humans or animals. Its use is confined to the chemical laboratory.
|
| Enzyme Assay |
Benzalphthalide has no enzyme or receptor binding assays. Its characterization involves chemical analysis, such as determination of melting point, purity by HPLC, and structural confirmation by NMR and mass spectrometry. These tests ensure its quality as a chemical reagent.
|
| Cell Assay |
Benzalphthalide is not used in cellular assays, as it is not a biologically active compound. Its effects on cells are not studied. It would not be tested in standard cell-based assays used for drug discovery.
|
| Animal Protocol |
Benzalphthalide is not used in animal experiments. It has no biological activity and is not a candidate for drug development. Animal studies would not be conducted with this compound.
|
| ADME/Pharmacokinetics |
Benzalphthalide has no pharmacokinetic properties, as it is not a drug. It is not absorbed, distributed, metabolized, or excreted in the context of pharmacology. Its chemical stability and reactivity are its primary characteristics.
|
| Toxicity/Toxicokinetics |
Benzalphthalide is a chemical reagent and should be handled with standard laboratory precautions. It may be irritating to the skin, eyes, and respiratory tract. Its toxicity data are limited, but as with many organic solvents and reagents, it should be used in a well-ventilated fume hood, and contact with skin and eyes should be avoided.
|
| Additional Infomation |
3-(phenylmethylene)-1-isobenzofuranone is an isobenzofuranone.
Benzalphthalide is also known as 3-benzylidenephthalide. It is a fine chemical used in research and development. It is not an FDA-approved drug and has no clinical applications. It is a precursor in the synthesis of certain dyes and pharmaceutical intermediates. Its primary value is as a synthetic building block in organic chemistry. |
| Molecular Formula |
C15H10O2
|
|---|---|
| Molecular Weight |
222.2387
|
| Exact Mass |
222.068
|
| CAS # |
575-61-1
|
| PubChem CID |
642371
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
374.1±42.0 °C at 760 mmHg
|
| Melting Point |
99-102 °C(lit.)
|
| Flash Point |
156.9±25.3 °C
|
| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.687
|
| LogP |
4.27
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
17
|
| Complexity |
326
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C(C2=C([H])C([H])=C([H])C([H])=C2C1=C([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O
|
| InChi Key |
YRTPZXMEBGTPLM-UVTDQMKNSA-N
|
| InChi Code |
InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10-
|
| Chemical Name |
(3Z)-3-benzylidene-2-benzofuran-1-one
|
| 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) |
DMSO : ~50 mg/mL (~224.98 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.25 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.4996 mL | 22.4982 mL | 44.9964 mL | |
| 5 mM | 0.8999 mL | 4.4996 mL | 8.9993 mL | |
| 10 mM | 0.4500 mL | 2.2498 mL | 4.4996 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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