CAS No.145599-86-6,CERIVASTATIN SODIUM Suppliers

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Basic Information

Molecular Structure:
CAS No.:	145599-86-6
Name:	CERIVASTATIN SODIUM
Article Data:	2

Formula:	C₂₆H₃₄FNO₅
Molecular Weight:	459.558
Synonyms:	6-Heptenoicacid, 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-,[S-[R,S-(E)]]-;(3R,5S,6E)-7-[4-(p-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl]-3,5-dihydroxy-6-heptenoicacid;Baychol;Cerivastatin;
Density:	1.181 g/cm3
Boiling Point:	646.3 °C at 760 mmHg
Flash Point:	344.7 °C
PSA:	68.65000
LogP:	5.36060

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Specification

This chemical is called 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-,(3R,5S,6E)-, and its CAS registry number is 145599-86-6. With the molecular formula of C₂₆H₃₄FNO₅, its molecular weight is 459.55. Additionally, its product category is Active Pharmaceutical Ingredients.

Other characteristics of the 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-,(3R,5S,6E)- can be summarised as followings: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 0.6; (5)ACD/BCF (pH 5.5): 7.8; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 50.01; (8)ACD/KOC (pH 7.4): 1.94; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 66.88 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 127.56 cm³; (15)Molar Volume: 388.8 cm³; (16)Polarizability: 50.57×10^-24cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.181 g/cm³; (19)Flash Point: 344.7 °C; (20)Enthalpy of Vaporization: 100.18 kJ/mol; (21)Boiling Point: 646.3 °C at 760 mmHg; (22)Vapour Pressure: 1.37E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(nc(c(c1c2ccc(F)cc2)COC)C(C)C)C(C)C
2.InChI: InChI=1/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
3.InChIKey: SEERZIQQUAZTOL-ANMDKAQQBT