Physicochemical Properties
Molecular Formula | C18H29NO |
Molecular Weight | 275.43 |
Exact Mass | 275.225 |
CAS # | 6640-90-0 |
PubChem CID | 241059 |
Appearance | Typically exists as solid at room temperature |
Density | 1g/cm3 |
Boiling Point | 387.3ºC at 760 mmHg |
Flash Point | 67.2ºC |
Index of Refraction | 1.538 |
LogP | 4.811 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 4 |
Heavy Atom Count | 20 |
Complexity | 290 |
Defined Atom Stereocenter Count | 0 |
SMILES | CC1=CC(=CC(=C1O)CNC2CCCCC2)C(C)(C)C |
InChi Key | DVMJYVSFWOSELO-UHFFFAOYSA-N |
InChi Code | InChI=1S/C18H29NO/c1-13-10-15(18(2,3)4)11-14(17(13)20)12-19-16-8-6-5-7-9-16/h10-11,16,19-20H,5-9,12H2,1-4H3 |
Chemical Name | 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-methylphenol |
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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
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]. Li D, et al. A small-molecule induces apoptosis and suppresses metastasis in pancreatic cancer cells. Eur J Pharm Sci. 2013 Mar 12;48(4-5):658-67. [2]. Liu zuijia, et al. Application of small molecule compound NSC48160 in preparation of medicine for treating non-alcoholic fatty liver disease. Patent. CN115869292 |
Solubility Data
Solubility (In Vitro) | DMSO : ~100 mg/mL (~363.07 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.08 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 (9.08 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 | 3.6307 mL | 18.1534 mL | 36.3069 mL | |
5 mM | 0.7261 mL | 3.6307 mL | 7.2614 mL | |
10 mM | 0.3631 mL | 1.8153 mL | 3.6307 mL |