Physicochemical Properties
| Molecular Formula | C14H12O4 |
| Molecular Weight | 244.24268 |
| Exact Mass | 244.074 |
| CAS # | 66318-17-0 |
| PubChem CID | 162201 |
| Appearance | Light yellow to yellow ointment |
| Density | 1.252g/cm3 |
| Boiling Point | 425.5ºC at 760 mmHg |
| Flash Point | 211.1ºC |
| Index of Refraction | 1.571 |
| LogP | 2.698 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 18 |
| Complexity | 318 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC(C1=CC=C(C=C1)C(=O)C2=CC=CO2)C(=O)O |
| InChi Key | ITJUVDBADHDNPU-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C14H12O4/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17) |
| Chemical Name | 2-[4-(furan-2-carbonyl)phenyl]propanoic acid |
| 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]. A high performance liquid chromatographic procedure for the simultaneous determination of norfloxacin and furprofen in rat plasma. Biomed Chromatogr. 1993 May-Jun;7(3):126-8. [2]. Microextraction by packed sorbent and high performance liquid chromatography determination of seven non-steroidal anti-inflammatory drugs in human plasma and urine. J Chromatogr A. 2014 Nov 7;1367:1-8. |
Solubility Data
| Solubility (In Vitro) |
Ethanol : ~100 mg/mL (~409.43 mM) DMSO : ~62.5 mg/mL (~255.90 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.17 mg/mL (8.88 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 21.7 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: ≥ 2.17 mg/mL (8.88 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 21.7 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.0943 mL | 20.4717 mL | 40.9433 mL | |
| 5 mM | 0.8189 mL | 4.0943 mL | 8.1887 mL | |
| 10 mM | 0.4094 mL | 2.0472 mL | 4.0943 mL |