1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methyl ester supplier

Name
Ethyl-2-Ethoxy-1-[[(2'-(1h-Tetrazol-5-Yl)Biphenyl-4-Yl)Methyl]Benzimidazole]-7-Carboxylate
EINECS 604-139-3
CAS No. 139481-69-9
Article Data12
CAS DataBase
Density 1.357 g/cm³
Solubility
Melting Point 169-173°C
Formula C₂₅H₂₂N₆O₃
Boiling Point 704.488 °C at 760 mmHg
Molecular Weight 454.488
Flash Point 379.861 °C
Transport Information
Appearance
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]-, methyl ester (9CI);Methyl 1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate;Methyl 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate;
PSA 107.81000
LogP 4.50710

1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methyl ester Specification

The CAS register number of Ethyl-2-ethoxy-1-[[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]benzimidazole]-7-carboxylate is 139481-69-9. It also can be called as 1H-benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, ethyl ester and the systematic name about this chemical is ethyl 2-ethoxy-1-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylate. The molecular formula about this chemical is C₂₆H₂₄N₆O₃and molecular weight is 468.51. This chemical can be used as an intermediate in the preparation of Candesartan (C175575).

Physical properties about Ethyl-2-ethoxy-1-[[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]benzimidazole]-7-carboxylate are: (1)ACD/LogP: 6.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 573; (6)ACD/BCF (pH 7.4): 114; (7)ACD/KOC (pH 5.5): 1429; (8)ACD/KOC (pH 7.4): 284; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 107.81Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 132.115 cm³; (15)Molar Volume: 350.941 cm³; (16)Polarizability: 52.375x10^-24cm³; (17)Surface Tension: 52.831 dyne/cm; (18)Enthalpy of Vaporization: 103.769 kJ/mol; (19)Boiling Point: 709.56 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cccc2nc(OCC)n(c12)Cc5ccc(c3ccccc3c4nnnn4)cc5
(2)InChI: InChI=1/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)InChIKey: BCPWNYREAURMOP-UHFFFAOYAT
(4)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)
(5)Std. InChIKey: BCPWNYREAURMOP-UHFFFAOYSA-N

Product Name

Ethyl-2-Ethoxy-1-[[(2'-(1h-Tetrazol-5-Yl)Biphenyl-4-Yl)Methyl]Benzimidazole]-7-Carboxylate

1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methyl ester Specification

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