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204589-80-0

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Basic Information
CAS No.: 204589-80-0
Name: Methyl (3R,4S)-1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-3-azetidinepropanoate
Article Data: 7
Cas Database
Molecular Structure:
Molecular Structure of 204589-80-0 (Methyl (3R,4S)-1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-3-azetidinepropanoate)
Formula: C26H24 F N O4
Molecular Weight: 433.479
Synonyms: 3-Azetidinepropanoicacid, 1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-, methyl ester,(3R-trans)-;
EINECS: 606-560-8
Density: 1.239 g/cm3
Boiling Point: 628.309 °C at 760 mmHg
Flash Point: 333.789 °C
PSA: 55.84000
LogP: 5.12700
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Specification

The Methyl (3R,4S)-1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-3-azetidinepropanoate , with the CAS register number 204589-80-0, is also known to us as 3-Azetidinepropanoic acid, 1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-, methyl ester, (3R,4S)- and Methyl 3-[(2S,3R)-2-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-4-oxoazetidin-3-yl]propanoate .

The physical properties of this kind of chemcial are as followings:(1)ACD/BCF (pH 5.5):  1858  ; (2)ACD/BCF (pH 7.4):  1858  ; (3)ACD/KOC (pH 5.5):  7614  ; (4)ACD/KOC (pH 7.4):  7614  ; (5)#H bond acceptors:  5  ; (6)#Freely Rotating Bonds:  9  ; (7)Polar Surface Area:  55.84 ; (8)Index of Refraction:  1.589  ; (9)Molar Refractivity:  117.948 cm3  ; (10)Molar Volume:  349.887 cm3  ; (11)Polarizability:  46.758 ×10-24 cm3  ; (12)Surface Tension:  48.051 dyne/cm  ; (13)Density:  1.239 g/cm3  ; (14)Flash Point:  333.789 °C  ; (15)Enthalpy of Vaporization:  92.971 kJ/mol  ; (16)Boiling Point:  628.309 °C at 760 mmHg .

In addition, you could refer to the following data information to get the molecular structure:
SMILES:Fc1ccc(cc1)N4C(=O)[C@@H]([C@H]4c3ccc(OCc2ccccc2)cc3)CCC(=O)OC
InChI:InChI=1/C26H24FNO4/c1-31-24(29)16-15-23-25(28(26(23)30)21-11-9-20(27)10-12-21)19-7-13-22(14-8-19)32-17-18-5-3-2-4-6-18/h2-14,23,25H,15-17H2,1H3/t23-,25-/m1/s1
InChIKey:KYSALESRYJDXBT-ILBGXUMGBE

What's more, if you need to know the market information of this chemical, there are many suppliers in China, such as Ningbo Hi-Tech Biochemicals Co., Ltd and Yancheng Henz Chemical Co., Ltd.