112830-95-2

The (6aR,10aR)-3-(1,1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-methanol , with cas registry number of 112830-95-2, belongs to the class of cannabinoid receptor. It is also known as HU-210 . Its systematic name is called (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol . This chemical is soluble in DMSO with appearance of solid. Make sure it is stored at temperature of -20°C.

Physical properties about this chemical are: (1) ACD/LogP: 7.66 ; (2) # of Rule of 5 Violations: 1 ; (3) ACD/LogD (pH 5.5): 8 ; (4) ACD/LogD (pH 7.4): 8 ; (5) ACD/BCF (pH 5.5): 988774 ; (6) ACD/BCF (pH 7.4): 984181 ; (7) ACD/KOC (pH 5.5): 680537 ; (8) ACD/KOC (pH 7.4): 677376 ; (9) #H bond acceptors: 3 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 9 ; (12) Polar Surface Area: 49.69 Å² ; (13) Index of Refraction: 1.526 ; (14) Molar Refractivity: 115.115 cm³ ; (15) Molar Volume: 375.201 cm³ ; (16) Surface Tension: 37.314 dyne/cm ; (17) Density: 1.03 g/cm³ ; (18) Flash Point: 238.095 °C ; (19) Enthalpy of Vaporization: 77.177 kJ/mol ; (20) Boiling Point: 470.078 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1) SMILES:Oc2cc(cc1OC([C@@H]3C/C=C(\C[C@H]3c12)CO)(C)C)C(C)(C)CCCCCC;
(2) InChI:InChI=1/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1;
(3) InChIKey:SSQJFGMEZBFMNV-WOJBJXKFBO