Product Name

  • Name

    Rosuvastatin ethyl ester

  • EINECS
  • CAS No. 851443-04-4
  • Article Data11
  • CAS DataBase
  • Density 1.294 g/cm3
  • Solubility
  • Melting Point
  • Formula C24H32FN3O6S
  • Boiling Point 699.1 °C at 760 mmHg
  • Molecular Weight 509.599
  • Flash Point 376.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 851443-04-4 (Rosuvastatin ethyl ester)
  • Hazard Symbols
  • Synonyms Ethyl (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate;
  • PSA 138.30000
  • LogP 3.96100

Rosuvastatin ethyl ester 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

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