8H-Indeno[1,2-d]oxazole,2,2'-(2,6-pyridinediyl)bis[3a,8a-dihydro-, (3aR,3'aR,8aS,8'aS)- (357209-32-6)

The 2,6-Bis[(3alphaR,8alphaS)-(+)-8H-indeno[1,2-d]oxazolin-2-yl)pyridine is an organic compound with the formula C₂₅H₁₉N₃O₂. The systematic name of this product is (3aS,8bR)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d]oxazol-2-yl]-2-pyridyl]-4,8b-dihydro-3aH-indeno[1,2-d]oxazole. With the CAS registry number 357209-32-6, it is also named as (3aR,8aS)-in-pybox. The price of this product changes with the market.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.03; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Index of Refraction: 1.797; (9)Molar Refractivity: 111.85 cm³; (10)Molar Volume: 262.2 cm³; (11)Polarizability: 44.34×10^-24 cm³; (12)Surface Tension: 61.2 dyne/cm; (13)Density: 1.5 g/cm3; (14)Flash Point: 336.6 °C; (15)Enthalpy of Vaporization: 90.17 kJ/mol; (16)Boiling Point: 633 °C at 760 mmHg; (17)Vapour Pressure: 3.05E-15 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES: c1cccc2C[C@@H]3O\C(=N/[C@@H]3c12)c4cccc(n4)C\5=N\[C@@H]6c7ccccc7C[C@@H]6O/5;
2. InChI: InChI=1/C25H19N3O2/c1-3-8-16-14(6-1)12-20-22(16)27-24(29-20)18-10-5-11-19(26-18)25-28-23-17-9-4-2-7-15(17)13-21(23)30-25/h1-11,20-23H,12-13H2/t20-,21-,22+,23+/m0/s1.