Physicochemical Properties
| Molecular Formula | C10H18N2O2S |
| Molecular Weight | 230.33 |
| Exact Mass | 230.109 |
| CAS # | 53906-36-8 |
| PubChem CID | 10082587 |
| Appearance | White to off-white solid powder |
| LogP | 1.362 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 15 |
| Complexity | 238 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCCO)NC(=O)N2 |
| InChi Key | RGIKRHKHRAAZIO-CIUDSAMLSA-N |
| InChi Code | InChI=1S/C10H18N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h7-9,13H,1-6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1 |
| Chemical Name | (3aS,4S,6aR)-4-(5-hydroxypentyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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]. Utilization of d-Biotinol by Microorganisms, the Rat and Human. Proceedings of the Society for Experimental Biology and Medicine, 1951, 78(2): 381-383. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 100 mg/mL (434.16 mM) Methanol: 25 mg/mL (108.54 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.85 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.3416 mL | 21.7080 mL | 43.4160 mL | |
| 5 mM | 0.8683 mL | 4.3416 mL | 8.6832 mL | |
| 10 mM | 0.4342 mL | 2.1708 mL | 4.3416 mL |