Physicochemical Properties
| Molecular Formula | C₁₈H₁₆CLNO₅ |
| Molecular Weight | 361.78 |
| Exact Mass | 361.071 |
| CAS # | 71283-80-2 |
| PubChem CID | 91707 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 477.5±53.0 °C at 760 mmHg |
| Flash Point | 242.6±30.9 °C |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.587 |
| LogP | 4.78 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 25 |
| Complexity | 443 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C[C@@H](OC1=CC=C(OC2=NC3=CC=C(Cl)C=C3O2)C=C1)C(OCC)=O |
| InChi Key | PQKBPHSEKWERTG-LLVKDONJSA-N |
| InChi Code | InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1 |
| Chemical Name | ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate |
| 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 | Zawahir S, et al. Acute intentional self-poisoning with a herbicide product containing fenoxaprop-P-ethyl, ethoxysulfuron, andisoxadifen ethyl: a prospective observational study. Clin Toxicol (Phila). 2009 Sep;47(8):792-797. |
| Additional Infomation | See also: Fenoxaprop-ethyl (annotation moved to). |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 100 mg/mL (~276.41 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.91 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 (6.91 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 | 2.7641 mL | 13.8206 mL | 27.6411 mL | |
| 5 mM | 0.5528 mL | 2.7641 mL | 5.5282 mL | |
| 10 mM | 0.2764 mL | 1.3821 mL | 2.7641 mL |