![2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile structure](/static/products/3843/384350-45-2.webp)
2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
TL;DR: 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 384350-45-2) is a chemical compound with molecular formula C31H37N5O and molecular weight 495.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(3-methylbutyl)-1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 3-methyl-2-(3-methylbutyl)-1-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}pyrido[1,2-a]benzimidazole-4-carbonitrile, F1126-0885, 11-methyl-12-(3-methylbutyl)-13-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile, 3-methyl-2-(3-methylbutyl)-1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C31H37N5O |
|---|---|
| Molecular Weight | 495.30 g/mol |
| LogP | 5.76562 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.2998 |
| Heavy Atoms | 37 |
| Complexity | 1422.5258 |
Chemical Identifiers
| CAS Number | 384350-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCN2CCN(CC2)C3=C(C(=C(C4=NC5=CC=CC=C5N34)C#N)C)CCC(C)C |
Product Overview
2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 384350-45-2), with molecular formula C31H37N5O and molecular weight 495.30 g/mol. IUPAC: 3-methyl-2-(3-methylbutyl)-1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
Property Insights of 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
The XLogP value of 5.76562 indicates that 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)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. With a topological polar surface area (TPSA) of 56.8 Ų, 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[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-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The CAS number of 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 384350-45-2.
What is the molecular formula of 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular formula of 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is C31H37N5O.
What is the molecular weight of 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular weight of 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 495.30 g/mol.
Where can I buy 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
You can request a quote for 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)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-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-isopentyl-3-methyl-1-(4-(2-(p-tolyloxy)ethyl)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.