Physicochemical Properties
| Molecular Formula | C22H34O2 |
| Molecular Weight | 330.50 |
| Exact Mass | 330.256 |
| CAS # | 29106-17-0 |
| PubChem CID | 71446857 |
| Appearance | Light yellow to yellow liquid |
| LogP | 6.368 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 24 |
| Complexity | 393 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CCCCCC1=CC(O)=C(C/C=C(\CC/C=C(\C)/C)/C)C(OC)=C1 |
| InChi Key | KASVLYINZPAMNS-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H34O2/c1-6-7-8-12-19-15-21(23)20(22(16-19)24-5)14-13-18(4)11-9-10-17(2)3/h10,13,15-16,23H,6-9,11-12,14H2,1-5H3 |
| Chemical Name | 2-(3,7-dimethylocta-2,6-dienyl)-3-methoxy-5-pentylphenol |
| 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]. Linciano P, Citti C, Russo F, et al. Identification of a new cannabidiol n-hexyl homolog in a medicinal cannabis variety with an antinociceptive activity in mice: cannabidihexol. Sci Rep. 2020;10(1):22019. Published 2020 Dec 16. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 50 mg/mL (151.29 mM) H2O: < 0.1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.56 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (7.56 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (7.56 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 | 3.0257 mL | 15.1286 mL | 30.2572 mL | |
| 5 mM | 0.6051 mL | 3.0257 mL | 6.0514 mL | |
| 10 mM | 0.3026 mL | 1.5129 mL | 3.0257 mL |