2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate
TL;DR: 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate (CAS 174800-22-7) is a chemical compound with molecular formula C30H28N8O and molecular weight 516.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-5-methyl-6-(1-oxidopyridin-1-ium-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
Also Known As: 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate, 3H-Imidazo(4,5-b)pyridine, 2-butyl-5-methyl-6-(1-oxido-2-pyridinyl)-3-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 2-(2-butyl-5-methyl-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)pyridin-1-ium-1-olate, 2-[2-Butyl-3-[[2 -(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-6-yl]pyridine 1-oxide, 2-[3-[2 -(1H-Tetrazole-5-yl)-1,1 -biphenyl-4-ylmethyl]-2-butyl-5-methyl-3H-imidazo[4,5-b]pyridine-6-yl]pyridine 1-oxide
| Molecular Formula | C30H28N8O |
|---|---|
| Molecular Weight | 516.24 g/mol |
| LogP | 5.27812 |
| Topological Polar Surface Area | 112.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.2386 |
| Heavy Atoms | 39 |
| Complexity | 1739.7833 |
Chemical Identifiers
| CAS Number | 174800-22-7 |
|---|---|
| SMILES | CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N=C(C(=C2)C6=CC=CC=[N+]6[O-])C |
Product Overview
2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate (CAS 174800-22-7), with molecular formula C30H28N8O and molecular weight 516.24 g/mol. IUPAC: 2-butyl-5-methyl-6-(1-oxidopyridin-1-ium-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine.
Chemical Property Profile of 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate
Property Insights of 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate
The XLogP value of 5.27812 indicates that 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate. Following Lipinski's Rule of Five, 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate?
The CAS number of 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate is 174800-22-7.
What is the molecular formula of 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate?
The molecular formula of 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate is C30H28N8O.
What is the molecular weight of 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate?
The molecular weight of 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate is 516.24 g/mol.
Where can I buy 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate?
You can request a quote for 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Butyl-5-methyl-3-((2'-(1H-1,2,3,4-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridin-6-yl)pyridin-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.