![1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile structure](/static/products/442/442567-51-3.png)
1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
TL;DR: 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 442567-51-3) is a chemical compound with molecular formula C28H30ClN5 and molecular weight 471.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(azepan-1-yl)ethylamino]-2-[(4-chlorophenyl)methyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-[2-(azepan-1-yl)ethylamino]-2-[(4-chlorophenyl)methyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-{[2-(1-AZEPANYL)ETHYL]AMINO}-2-(4-CHLOROBENZYL)-3-METHYLPYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE, 1-{[2-(azepan-1-yl)ethyl]amino}-2-(4-chlorobenzyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C28H30ClN5 |
|---|---|
| Molecular Weight | 471.22 g/mol |
| LogP | 6.1997 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.21896 |
| Heavy Atoms | 34 |
| Complexity | 1341.7327 |
Chemical Identifiers
| CAS Number | 442567-51-3 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=C(C=C4)Cl)NCCN5CCCCCC5)C#N |
Product Overview
1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 442567-51-3), with molecular formula C28H30ClN5 and molecular weight 471.22 g/mol. IUPAC: 1-[2-(azepan-1-yl)ethylamino]-2-[(4-chlorophenyl)methyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
Property Insights of 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
The XLogP value of 6.1997 indicates that 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.36 Ų, 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The CAS number of 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 442567-51-3.
What is the molecular formula of 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular formula of 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is C28H30ClN5.
What is the molecular weight of 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular weight of 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 471.22 g/mol.
Where can I buy 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
You can request a quote for 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-(azepan-1-yl)ethyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.