Tamibarotene

The CAS registry number of Benzoic acid,4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)amino]carbonyl]- is 94497-51-5. The IUPAC name is 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid. In addition, the molecular formula is C₂₂H₂₅NO₃ and the molecular weight is 351.44. What's more, it is a kind of crystalline solid and belongs to the classes of Intermediates & Fine Chemicals; Pharmaceuticals; Retinoids.

Physical properties about this chemical are: (1)ACD/LogP: 6.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.72; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 854.52; (6)ACD/BCF (pH 7.4): 45.35; (7)ACD/KOC (pH 5.5): 1379.54; (8)ACD/KOC (pH 7.4): 73.22; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 103.18 cm³; (15)Molar Volume: 304.4 cm³; (16)Polarizability: 40.9 ×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.154 g/cm³; (19)Flash Point: 225.7 °C; (20)Enthalpy of Vaporization: 74.64 kJ/mol; (21)Boiling Point: 449.6 °C at 760 mmHg; (22)Vapour Pressure: 7.2E-09 mmHg at 25°C.

Uses of Benzoic acid,4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)amino]carbonyl]-: it can react with iodomethane to get methyl 4-[methyl(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbamoyl]benzoate. This reaction will need reagent NaH and solvent dimethylformamide. The reaction time is 30 minutes with ambient temperature. The yield is about 83.3%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)C(=O)Nc2ccc3c(c2)C(CCC3(C)C)(C)C
(2)InChI: InChI=1/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
(3)InChIKey: MUTNCGKQJGXKEM-UHFFFAOYAX