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Pyridine,2,6-bis[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]- (174500-20-0)

Identification
Name:Pyridine,2,6-bis[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-
Synonyms:Pyridine,2,6-bis(4,5-dihydro-4-phenyl-2-oxazolyl)-, [S-(R*,R*)]-;2,6-Bis[(4S)-4,5-dihydro-4-phenyloxazol-2-yl]pyridine;2,6-Bis[(S)-4-phenyl-2-oxazolin-2-yl]pyridine;2,6-Bis[(4S)-phenyl-2-(oxazolin-2-yl)]pyridine;
CAS:174500-20-0
Molecular Formula: C23H19N3O2
Molecular Weight: 369.42
InChI: InChI=1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1
Molecular Structure: (C23H19N3O2) Pyridine,2,6-bis(4,5-dihydro-4-phenyl-2-oxazolyl)-, [S-(R*,R*)]-;2,6-Bis[(4S)-4,5-dihydro-4-phenylox...
Properties
Density:1.28 g/cm3
Alpha:-224 º (C=1, CHLOROFORM)
Water Solubility:Insoluble
Solubility:Insoluble
Appearance:WHITE TO OFF-WHITE CRYSTALLINE POWDER
Specification:

The IUPAC name of 2,6-Bis[(4S)-phenyl-2-oxazolin-2-yl]pyridine is (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole. With the CAS registry number 174500-20-0, it is also named as pyridine, 2,6-bis[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-; (S,S)-2,6-Bis(4-phenyl-2-oxazolinyl)pyridine. The product's categories are asymmetric synthesis and synthetic organic chemistry. It is white to off-white crystalline powder which is insoluble in water. And it must be stored in refrigerator. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 238.39; (6)ACD/BCF (pH 7.4): 239.26; (7)ACD/KOC (pH 5.5): 1749.09; (8)ACD/KOC (pH 7.4): 1755.46; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 107.74 cm3; (14)Molar Volume: 287.2 cm3; (15)Polarizability: 42.71×10-24 cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Enthalpy of Vaporization: 86.08 kJ/mol; (18)Vapour Pressure: 9.72E-14 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Exact Mass: 369.147727; (21)MonoIsotopic Mass: 369.147727; (22)Topological Polar Surface Area: 56.1; (23)Heavy Atom Count: 28.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. 

People can use the following data to convert to the molecule structure.
1. SMILES: N\1=C(\OC[C@@H]/1c2ccccc2)c5nc(C/4=N/[C@@H](c3ccccc3)CO\4)ccc5;
2. InChI: InChI=1/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1.

Storage Temperature: Refrigerator
Safety Data
Hazard Symbols Xi:Irritant