Physicochemical Properties
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| Exact Mass | 190.062 |
| CAS # | 31005-02-4 |
| Related CAS # | 7-Ethoxycoumarin-d5;1189956-39-5 |
| PubChem CID | 35703 |
| Appearance | Off-white to yellow solid powder |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 345.0±37.0 °C at 760 mmHg |
| Melting Point | 88-90 °C(lit.) |
| Flash Point | 143.1±21.1 °C |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.562 |
| LogP | 2.31 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 14 |
| Complexity | 247 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | LIFAQMGORKPVDH-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3 |
| Chemical Name | 7-ethoxychromen-2-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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ADME/Pharmacokinetics |
Metabolism / Metabolites 7-ethoxycoumarin has known human metabolites that include 7-Hydroxycoumarin and 2H-1-Benzopyran-2-one, 7-ethoxy-4-hydroxy-. |
| References |
[1]. Generation of human metabolites of 7-ethoxycoumarin by bacterial cytochrome P450 BM3. Drug Metab Dispos. 2008 Nov;36(11):2166-70. |
| Additional Infomation | 7-ethoxycoumarin is a member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group. It is an aromatic ether and a member of coumarins. It is functionally related to an umbelliferone. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~525.76 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.14 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 (13.14 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (13.14 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 | 5.2576 mL | 26.2881 mL | 52.5762 mL | |
| 5 mM | 1.0515 mL | 5.2576 mL | 10.5152 mL | |
| 10 mM | 0.5258 mL | 2.6288 mL | 5.2576 mL |