| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
2-Phenyl-1,3-propanediol (1570-95-2) does not have a defined pharmacological target as it is primarily a synthetic intermediate and organic building block rather than a therapeutic agent. The compound is structurally related to various bioactive molecules but does not itself possess known receptor or enzyme binding activity. In synthetic chemistry applications, its target is the reaction site for further chemical transformations, such as esterification, oxidation, or cross-coupling reactions. No specific protein or enzyme targets have been reported for this compound in biological systems.
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| ln Vitro |
Not applicable for 2-Phenyl-1,3-propanediol (1570-95-2) as it is a synthetic intermediate without reported biological activity. The compound is primarily used in organic synthesis as a building block for pharmaceutical production. No IC50, EC50, or other potency values have been reported for this substance. For its downstream derivatives, biological activities may vary depending on the final drug molecule synthesized. The compound‘s primary in vitro role is as a chemical reactant rather than as a biologically active agent.
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| ln Vivo |
Not applicable for 2-Phenyl-1,3-propanediol (1570-95-2) as it is a synthetic intermediate without documented in vivo biological activity. The compound is intended for chemical synthesis rather than pharmacological evaluation in animal models. It does not possess intrinsic therapeutic properties. Any in vivo activity would be associated with the final drug compounds that incorporate this structural fragment, not with the intermediate itself. The compound is not typically administered to animals for efficacy studies as a standalone agent.
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| Enzyme Assay |
Not applicable for 2-Phenyl-1,3-propanediol (1570-95-2) as it is a synthetic intermediate without receptor binding properties. For general organic chemistry applications, no receptor binding assays have been reported. The compound‘s hydroxyl groups can participate in hydrogen bonding but no specific biological interactions have been characterized. Standard chemical characterization may include NMR spectroscopy, mass spectrometry, or HPLC analysis for purity determination, but these are analytical methods rather than biological binding assays.
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| Cell Assay |
Not applicable for 2-Phenyl-1,3-propanediol (1570-95-2) as it is a synthetic intermediate without cell-based activity. This compound is not typically used in cell culture experiments as a pharmacologically active agent. Its primary applications are in chemical synthesis as a starting material for drug manufacturing. Standard cytotoxicity or efficacy assays are not relevant for this building block compound.
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| Animal Protocol |
Not applicable for 2-Phenyl-1,3-propanediol (1570-95-2) as it is a synthetic intermediate without documented in vivo animal study protocols. The compound is used as a chemical precursor rather than as a test article for animal efficacy studies. Any animal studies involving this compound would be for toxicological safety assessment of the chemical itself, not for therapeutic efficacy evaluation. Standard OECD guidelines for chemical safety testing could apply, but no specific protocols are reported in available literature for this compound.
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| ADME/Pharmacokinetics |
Not applicable for 2-Phenyl-1,3-propanediol (1570-95-2) as it is a synthetic intermediate without reported pharmacokinetic studies. The compound is not intended for systemic drug delivery. For industrial chemical handling, the substance has predicted physicochemical properties that influence absorption: XLogP of approximately 0.6-0.9, two hydrogen bond donors, two hydrogen bond acceptors, and three rotatable bonds. These properties suggest moderate water solubility but no formal PK data in humans or animals have been reported.
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| Toxicity/Toxicokinetics |
For 2-Phenyl-1,3-propanediol (1570-95-2) as an organic intermediate, acute toxicity data are not widely reported. The compound is classified as having low acute toxicity typical of diol compounds. Standard safety precautions for handling include avoiding dust formation, using appropriate personal protective equipment (gloves, lab coat, safety goggles), and ensuring adequate ventilation. The substance may cause mild skin, eye, or respiratory tract irritation. The oral LD50 in rats is not available in the public literature. Users should consult the Safety Data Sheet for comprehensive safety information prior to handling.
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| Additional Infomation |
2-Phenyl-1,3-propanediol (1570-95-2) has a molecular formula of C9H12O2 and molecular weight of 152.19 g/mol. Its IUPAC name is 2-phenylpropane-1,3-diol. Additional synonyms include phenylpropanediol and 1,3-Propanediol, 2-phenyl-. The compound appears as a white powder or crystalline solid with a melting point of 53-56degC and boiling point of 176degC at 13 Torr. Density is approximately 1.1161 g/cm3 at 19degC. Storage conditions: sealed in dry, inert atmosphere at room temperature. Purity specifications typically exceed 98%.
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| Molecular Formula |
C9H12O2
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|---|---|
| Molecular Weight |
152.19
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| Exact Mass |
152.084
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| CAS # |
1570-95-2
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| PubChem CID |
254178
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
11
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| Complexity |
93.7
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)C(CO)CO
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| InChi Key |
BPBDZXFJDMJLIB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H12O2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
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| Chemical Name |
2-phenylpropane-1,3-diol
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| Synonyms |
2-Phenylpropane-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 : ~100 mg/mL (~657.07 mM; with sonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (32.85 mM)(saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 50.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix thoroughly. Then add 50 μL of Tween-80 to the above system and mix thoroughly. Finally, add 450 μL of physiological saline to bring the volume to 1 mL. Preparation of physiological saline: Dissolve 0.9 g of sodium chloride in ddH₂O and bring the volume to 100 mL to obtain a clear and transparent physiological saline solution. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 5 mg/mL (32.85 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 50.0 mg/mL clear DMSO stock solution was added to 900 μL of 20% SBE-β-CD physiological saline solution and mixed thoroughly. 2 g of SBE-β-CD (sulfobutyl ether β-cyclodextrin) powder was diluted to 10 mL of physiological saline and dissolved completely until clear and transparent. 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: ≥ 5 mg/mL (32.85 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 | 6.5707 mL | 32.8537 mL | 65.7073 mL | |
| 5 mM | 1.3141 mL | 6.5707 mL | 13.1415 mL | |
| 10 mM | 0.6571 mL | 3.2854 mL | 6.5707 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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