Candesartan ethyl ester supplier

Name
Ethyl -2-ethoxy-1-[[(2-(1Htetrazol-5-yl)biphenyl-4-yl-) methyl]
EINECS
CAS No. 139481-58-6
Article Data5
CAS DataBase
Density 1.335 g/cm³
Solubility
Melting Point 157-159 °C
Formula C₂₆H₂₄N₆O₃
Boiling Point 709.56 °C at 760 mmHg
Molecular Weight 468.515
Flash Point 382.928 °C
Transport Information
Appearance Off-White Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, ethyl ester (9CI);2-Ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid ethyl ester;
PSA 107.81000
LogP 4.50710

Candesartan ethyl ester Specification

The Candesartan ethyl ester, with the CAS registry number 139481-58-6, is also known as 2-Ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid ethyl ester. It belongs to the product categories of Candesartan Cilexetil; Aromatics; Bases & Related Reagents; Heterocycles; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals. This chemical's molecular formula is C₂₆H₂₄N₆O₃ and molecular weight is 468.51. What's more, its systematic name is Ethyl 2-ethoxy-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazole-7-carboxylate. This chemical is candesartan analog as angiotensin II antagonist.

Physical properties of Candesartan ethyl ester are: (1)ACD/LogP: 6.636; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.41; (4)ACD/LogD (pH 7.4): 4.67; (5)ACD/BCF (pH 5.5): 3877.58; (6)ACD/BCF (pH 7.4): 695.76; (7)ACD/KOC (pH 5.5): 5783.61; (8)ACD/KOC (pH 7.4): 1037.77; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 107.81 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 132.115 cm³; (15)Molar Volume: 350.941 cm³; (16)Polarizability: 52.375×10^-24cm³; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.335 g/cm³; (19)Flash Point: 382.928 °C; (20)Enthalpy of Vaporization: 103.769 kJ/mol; (21)Boiling Point: 709.56 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cccc2nc(OCC)n(c12)Cc5ccc(c3ccccc3c4nnnn4)cc5
(2)Std. InChI: InChI=1S/C26H24N6O3/c1-3-34-25(33)21-10-7-11-22-23(21)32(26(27-22)35-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24-28-30-31-29-24/h5-15H,3-4,16H2,1-2H3,(H,28,29,30,31)
(3)Std. InChIKey: BCPWNYREAURMOP-UHFFFAOYSA-N

Product Name

Ethyl -2-ethoxy-1-[[(2-(1Htetrazol-5-yl)biphenyl-4-yl-) methyl]

Candesartan ethyl ester Specification

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