1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1-ethyltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate


Chemical Name: 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1-ethyltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CAS Number: 914613-35-7
Product Number: AG006MAO(AGN-PC-0CM31T)
Synonyms:
MDL No:
Molecular Formula: C35H38N6O6
Molecular Weight: 638.7128

Identification/Properties


Properties
MP:
114-119°C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
638.725g/mol
XLogP3:
7.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
14
Exact Mass:
638.285g/mol
Monoisotopic Mass:
638.285g/mol
Topological Polar Surface Area:
133A^2
Heavy Atom Count:
47
Formal Charge:
0
Complexity:
1010
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



1-[[(Cyclohexyloxy)carbonyl]oxy]ethyl 2-ethoxy-1-[[2′-(1-ethyl-1H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylate is a versatile compound used in chemical synthesis as a key building block for designing novel pharmaceutical agents. This compound serves as a strategic intermediate, providing functional groups for further modification to enhance the bioactivity and pharmacological properties of the final products. Its unique structure combines the flexibility of an ethyl ester linkage with the rigidity of a benzimidazole core, offering opportunities for structure-activity relationship studies and structure-based drug design. In the realm of medicinal chemistry, this compound plays a crucial role in the development of potential drug candidates targeting specific biological pathways or disease mechanisms. Its ability to undergo selective transformations allows for the synthesis of diverse analogs with improved potency, selectivity, and pharmacokinetic profiles.