Products Categories
| CAS No.: | 259869-55-1 |
|---|---|
| Name: | (6AR,10AR)-3-(1,1-DIMETHYLBUTYL)-6A,7,10,10A-TETRAHYDRO-6,6,9-TRIMETHYL-6H-DIBENZO[B,D]PYRAN |
| Molecular Structure: | |
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| Formula: | C22H32O |
| Molecular Weight: | 312.48900 |
| Synonyms: | JWH 133 |
| Density: | 0.95g/cm3 |
| Boiling Point: | 382°C at 760 mmHg |
| Flash Point: | 182.8°C |
| PSA: | 9.23000 |
| LogP: | 6.37520 |
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Specification
This chemical is called (6aR,10aR)-6,6,9-Trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene, and it can also be named as JWH-133. With the CAS number 259869-55-1, its IUPAC name is (6aR,10aR)-3-(1,1-dimethylbutyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene. Usually, the molecular formula of this chemical is C22H32O, and its product category is Cannabinoid Receptor. In addition, JWH-133 is often stored at the temperature of -20°C. Moreover, it is soluble in water emulsion.
Other characteristics can be summarised as followings: (1)ACD/LogP: 8.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.31; (4)ACD/LogD (pH 7.4): 8.31; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 793176.25; (8)ACD/KOC (pH 7.4): 793176.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 97.81 cm3; (15)Molar Volume: 328.6 cm3; (16)Polarizability: 38.77×10-24cm3; (17)Surface Tension: 30.8 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 182.8 °C; (20)Enthalpy of Vaporization: 60.56 kJ/mol; (21)Boiling Point: 382 °C at 760 mmHg; (22)Vapour Pressure: 1.07E-05 mmHg at 25°C.
Uses of this chemical: JWH-133 is selective for the non-psychoactive CB2 receptor and hence devoid of any psychoactive side effects or abuse potential. It is a potent selective CB2 receptor agonist, with a Ki of 3.4nM and selectivity of around 200x for CB2 over CB1 receptors. it is implicated in preventing the inflammation caused by amyloid beta proteins involved in alzheimer's disease, in addition to preventing cognitive impairment and loss of neuronal markers. This antiinflamatory action is induced through agonist action at cannabinoid receptors, which prevents microglial activation that elicits the inflammation. Additionally, cannabinoids completely abolish neurotoxicity related to microglia activation in rat.
You can still convert the following datas into molecular structure:
(1)SMILES: O3c1cc(ccc1[C@@H]2C\C(=C/C[C@H]2C3(C)C)C)C(C)(C)CCC
(2)InChI:InChI=1/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
(3)InChIKey: YSBFLLZNALVODA-RBUKOAKNBY
(4)Std. InChI: InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
(5)Std. InChIKey: YSBFLLZNALVODA-RBUKOAKNSA-N