Physicochemical Properties
| Molecular Formula | C11H9NO3 |
| Exact Mass | 203.058 |
| CAS # | 779-30-6 |
| PubChem CID | 136620 |
| Appearance | White to off-white solid powder |
| Density | 1.31g/cm3 |
| Boiling Point | 482ºC at 760 mmHg |
| Melting Point | 205-207 °C(lit.) |
| Flash Point | 245.3ºC |
| Index of Refraction | 1.604 |
| LogP | 1.824 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 15 |
| Complexity | 322 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O1C(C(=C([H])C2=C([H])C([H])=C([H])C([H])=C12)N([H])C(C([H])([H])[H])=O)=O |
| InChi Key | XJYLCCJIDYSFMB-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C11H9NO3/c1-7(13)12-9-6-8-4-2-3-5-10(8)15-11(9)14/h2-6H,1H3,(H,12,13) |
| Chemical Name | N-(2-oxochromen-3-yl)acetamide |
| 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) |
Biological Activity
| References | [1]. ErolTaşal, MuratTanışlı. A comparison for application time of electrical discharge onto 3-acetamidocoumarin molecule. J Mol Liq. 2016 Sep, 221:763-767. |
| Additional Infomation | N-(2-oxo-1-benzopyran-3-yl)acetamide is a member of coumarins. |
Solubility Data
| Solubility (In Vitro) | DMSO: 12.5 mg/mL (61.52 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (6.15 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 12.5 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: ≥ 1.25 mg/mL (6.15 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 12.5 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.) |