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851443-04-4

Basic Information
CAS No.: 851443-04-4
Name: Rosuvastatin ethyl ester
Article Data: 11
Molecular Structure:
Molecular Structure of 851443-04-4 (Rosuvastatin ethyl ester)
Formula: C24H32FN3O6S
Molecular Weight: 509.599
Synonyms: Ethyl (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate;
Density: 1.294 g/cm3
Boiling Point: 699.1 °C at 760 mmHg
Flash Point: 376.6 °C
PSA: 138.30000
LogP: 3.96100
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  • Rosuvastatin ethyl ester ,98%min; 99%min

  • Casno:

    851443-04-4

    Rosuvastatin ethyl ester ,98%min; 99%min

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Specification

The Rosuvastatin ethyl ester, with the CAS registry number 851443-04-4, is also known as 7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(N-methyl-N-methylsulfonyl-amino)-pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid ethyl ester. It belongs to the product category of Rosuvastatin Calcium and its intermediates. This chemical's molecular formula is C24H32FN3O6S and molecular weight is 509.59. Its systematic name is called ethyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate.

Physical properties about Rosuvastatin ethyl ester are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 8.72; (6)ACD/BCF (pH 7.4): 8.72; (7)ACD/KOC (pH 5.5): 164.04; (8)ACD/KOC (pH 7.4): 164.04; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 129.45 cm3; (14)Molar Volume: 393.7 cm3; (15)Surface Tension: 54.7 dyne/cm; (16)Density: 1.294 g/cm3; (17)Flash Point: 376.6 °C; (18)Enthalpy of Vaporization: 107.48 kJ/mol; (19)Boiling Point: 699.1 °C at 760 mmHg; (20)Vapour Pressure: 1.62E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(c1nc(c(c(n1)C(C)C)/C=C/[C@@H](O)C[C@@H](O)CC(=O)OCC)c2ccc(F)cc2)C)C
(2)InChI: InChI=1/C24H32FN3O6S/c1-6-34-21(31)14-19(30)13-18(29)11-12-20-22(15(2)3)26-24(28(4)35(5,32)33)27-23(20)16-7-9-17(25)10-8-16/h7-12,15,18-19,29-30H,6,13-14H2,1-5H3/b12-11+/t18-,19-/m1/s1
(3)InChIKey: MSHKEMUMXTZIIT-MCBHFWOFBZ