![2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile structure](/static/products/861/861633-56-9.png)
2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
TL;DR: 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 861633-56-9) is a chemical compound with molecular formula C27H30ClN5 and molecular weight 459.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-1-[3-(diethylamino)propylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 2-(4-chlorobenzyl)-1-{[3-(diethylamino)propyl]amino}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 2-[(4-chlorophenyl)methyl]-1-[3-(diethylamino)propylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 4-{[3-(diethylamino)propyl]amino}-3-[(4-chlorophenyl)methyl]-2-methyl-5-hydrop yridino[1,2-a]benzimidazolecarbonitrile
| Molecular Formula | C27H30ClN5 |
|---|---|
| Molecular Weight | 459.22 g/mol |
| LogP | 6.0556 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.21896 |
| Heavy Atoms | 33 |
| Complexity | 1296.579 |
Chemical Identifiers
| CAS Number | 861633-56-9 |
|---|---|
| SMILES | CCN(CC)CCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC4=CC=C(C=C4)Cl |
Product Overview
2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 861633-56-9), with molecular formula C27H30ClN5 and molecular weight 459.22 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-1-[3-(diethylamino)propylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
Property Insights of 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
The XLogP value of 6.0556 indicates that 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-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, 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-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, 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-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 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The CAS number of 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 861633-56-9.
What is the molecular formula of 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular formula of 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is C27H30ClN5.
What is the molecular weight of 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular weight of 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 459.22 g/mol.
Where can I buy 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
You can request a quote for 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-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 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorobenzyl)-1-((3-(diethylamino)propyl)amino)-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.