![2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile structure](/static/products/518/518018-35-4.png)
2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
TL;DR: 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 518018-35-4) is a chemical compound with molecular formula C24H26N6 and molecular weight 398.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyanoethyl)-3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 2-(2-cyanoethyl)-3-methyl-1-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-(2-cyanoethyl)-3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-(2-cyanoethyl)-2-methyl-4-[4-(2-methylprop-2-enyl)piperazinyl]-5-hydropyridi no[1,2-a]benzimidazolecarbonitrile
| Molecular Formula | C24H26N6 |
|---|---|
| Molecular Weight | 398.22 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.2219 |
| Heavy Atoms | 30 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 518018-35-4 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC#N)N4CCN(CC4)CC(=C)C)C#N |
| InChIKey | NXJQJFBYTADAHI-UHFFFAOYSA-N |
Product Overview
2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 518018-35-4), with molecular formula C24H26N6 and molecular weight 398.22 g/mol. IUPAC: 2-(2-cyanoethyl)-3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
Property Insights of 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
The XLogP value of 4.8 indicates that 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile. Following Lipinski's Rule of Five, 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The CAS number of 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 518018-35-4.
What is the molecular formula of 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular formula of 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is C24H26N6.
What is the molecular weight of 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular weight of 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 398.22 g/mol.
Where can I buy 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
You can request a quote for 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[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-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-cyanoethyl)-3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.