| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
2'-Hydroxy-5'-methylacetophenone does not have a specific biological target as a drug; it is a chemical intermediate and building block. As an aromatic ketone with a phenolic hydroxyl group, it may have antioxidant properties, but specific molecular targets are not defined. The compound is primarily used in organic synthesis for the preparation of more complex molecules, including pharmaceuticals and agrochemicals.
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|---|---|
| ln Vitro |
2'-Hydroxy-5'-methylacetophenone is not typically evaluated for in vitro biological activity as a drug; it is a chemical building block. It may be used as a starting material for the synthesis of compounds with biological activity. However, specific IC50 values and detailed in vitro activity data for this compound are not extensively reported in the available literature.
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| ln Vivo |
2'-Hydroxy-5'-methylacetophenone is not evaluated for in vivo biological activity as a drug; it is a chemical intermediate. It is not administered as a therapeutic agent. The compound is used in the synthesis of pharmaceuticals and other bioactive molecules, but it itself does not have intrinsic pharmacological activity.
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| Enzyme Assay |
There are no specific in vitro enzyme or receptor binding assays for 2'-Hydroxy-5'-methylacetophenone as a drug target. As a chemical building block, it is characterized by its chemical properties rather than biological activity. The compound is used as a starting material in organic synthesis, and its purity and identity are confirmed by NMR, HPLC, and GC.
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| Cell Assay |
There are no specific in vitro cellular assays for 2'-Hydroxy-5'-methylacetophenone as a pharmacologically active compound. As a chemical intermediate, it is not typically tested in cell culture. The compound may be used to synthesize bioactive molecules that are subsequently tested in cellular assays, but the compound itself is not evaluated.
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| Animal Protocol |
There are no specific in vivo animal studies for 2'-Hydroxy-5'-methylacetophenone as a pharmacologically active compound. As a chemical intermediate, it is not administered to animals. The compound is used to synthesize pharmaceuticals that may subsequently be tested in animal models.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2'-Hydroxy-5'-methylacetophenone are not applicable, as it is a chemical intermediate rather than a drug. The compound has a molecular weight of 150.17 and a melting point of 45.0 to 49.0°C. It is not intended for administration.
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| Toxicity/Toxicokinetics |
The toxicity profile of 2'-Hydroxy-5'-methylacetophenone is not extensively reported. As a chemical intermediate, it should be handled with care in a laboratory setting. The compound is not intended for human therapeutic use. No specific genotoxicity or carcinogenicity data are reported. Standard safety data are not available.
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| Additional Infomation |
2'-Hydroxy-5'-methylacetophenone is an aromatic ketone. It has been reported to be found in the Canadian yew, tobacco, and other organisms with relevant data.
2'-Hydroxy-5'-methylacetophenone (CAS 1450-72-2) is an aromatic ketone and versatile chemical building block used in organic synthesis and medicinal chemistry research. It has a molecular formula of C9H10O2 and a molecular weight of 150.17. The compound is used as an intermediate in the production of various compounds. It is available for research use only and is not intended for therapeutic applications. |
| Molecular Formula |
C9H10O2
|
|---|---|
| Molecular Weight |
150.1745
|
| Exact Mass |
150.068
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| CAS # |
1450-72-2
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| PubChem CID |
15068
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
243.4±20.0 °C at 760 mmHg
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| Melting Point |
45-48 °C(lit.)
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| Flash Point |
99.8±14.4 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.546
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| LogP |
2.42
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
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| Complexity |
154
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1C(C([H])([H])[H])=O
|
| InChi Key |
YNPDFBFVMJNGKZ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3
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| Chemical Name |
1-(2-hydroxy-5-methylphenyl)ethanone
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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 : ~50 mg/mL (~332.96 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.65 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 25.0 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: ≥ 2.5 mg/mL (16.65 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 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (16.65 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.6591 mL | 33.2956 mL | 66.5912 mL | |
| 5 mM | 1.3318 mL | 6.6591 mL | 13.3182 mL | |
| 10 mM | 0.6659 mL | 3.3296 mL | 6.6591 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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