CAS No.128249-70-7,2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	128249-70-7
Name:	2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine
Article Data:	7

Formula:	C₂₃H₁₉N₃O₂
Molecular Weight:	369.423
Synonyms:	Pyridine,2,6-bis(4,5-dihydro-4-phenyl-2-oxazolyl)-, [R-(R,R)]-;(R,R)-2,6-Bis(4'-phenyloxazolin-2'-yl)pyridine;2,6-Bis[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]pyridine;
Density:	1.286 g/cm³
Melting Point:	171-175 °C
Boiling Point:	600.4 °C at 760 mmHg
Flash Point:	316.9 °C
Solubility:	Insoluble in water
Appearance:	White needles
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	56.07000
LogP:	2.98900

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Specification

The IUPAC name of 2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine is (4R)-4-phenyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole. With the CAS registry number 128249-70-7, it is also named as pyridine, 2,6-bis[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-. The product's categories are asymmetric synthesis and synthetic organic chemistry. It is white needles which is insoluble in water. And this chemical must be stored in refrigerator and avoid direct sunshine. The price of this product changes with the market. It can be used as pharmaceutical intermediates.

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.