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204589-82-2

Basic Information
CAS No.: 204589-82-2
Name: (3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-[4-(benzyloxy)phenyl]-3-azetidinepropanoic acid
Article Data: 10
Molecular Structure:
Molecular Structure of 204589-82-2 ((3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-[4-(benzyloxy)phenyl]-3-azetidinepropanoic acid)
Formula: C25H22FNO4
Molecular Weight: 419.452
Synonyms: (3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-[4-(benzyloxy)phenyl]-3-azetidine
EINECS: 1308068-626-2
Density: 1.292
Boiling Point: 687.445 °C at 760 mmHg
Flash Point: 369.553 °C
PSA: 66.84000
LogP: 5.03860
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Specification

The (3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-[4-(benzyloxy)phenyl]-3-azetidinepropanoic acid , with the CAS register nubmer 204589-82-2, has the systematic name of 3-[(2S,3R)-2-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-4-oxoazetidin-3-yl]propanoic acid . And it has other names as 3-Azetidinepropanoic acid, 1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)- .

The physical charateristics of this kind of chemical: (1)ACD/BCF (pH 5.5):  87  ; (2)ACD/BCF (pH 7.4):  1  ; (3)ACD/KOC (pH 5.5):  449  ; (4)ACD/KOC (pH 7.4):  7  ; (5)#H bond acceptors:  5  ; (6)#H bond donors:  1  ; (7)#Freely Rotating Bonds:  8  ; (8)Polar Surface Area:  66.84   ; (9)Index of Refraction:  1.614  ; (10)Molar Refractivity:  113.104 cm ; (11)Molar Volume:  324.524 cm3  ; (12)Polarizability:  44.838 ×10-24 cm ; (13)Surface Tension:  53.531 dyne/cm  ; (14)Density:  1.292 g/cm3  ; (15)Flash Point:  369.553 °C  ; (16)Enthalpy of Vaporization:  105.852 kJ/mol  ; (17)Boiling Point:  687.445 °C at 760 mmHg.  Besides, this chemical is widely used in the pharmaceutic intermediate.
 
In addition, you could obtain the molecular structure by using the following data information:
SMILES:Fc1ccc(cc1)N4C(=O)[C@@H]([C@H]4c3ccc(OCc2ccccc2)cc3)CCC(=O)O
InChI:InChI=1/C25H22FNO4/c26-19-8-10-20(11-9-19)27-24(22(25(27)30)14-15-23(28)29)18-6-12-21(13-7-18)31-16-17-4-2-1-3-5-17/h1-13,22,24H,14-16H2,(H,28,29)/t22-,24-/m1/s1

As for its market information, you could find many suppliers in China, such as Ningbo Hi-Tech Biochemicals Co., Ltd , and Yancheng Henz Chemical Co., Ltd.