![3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile structure](/static/products/3729/372976-28-8.webp)
3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
TL;DR: 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 372976-28-8) is a chemical compound with molecular formula C29H39N5 and molecular weight 457.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, F1092-0470, 11-methyl-13-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-12-octyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile, 3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C29H39N5 |
|---|---|
| Molecular Weight | 457.32 g/mol |
| LogP | 6.2687 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 457.32056 |
| Heavy Atoms | 34 |
| Complexity | 1190.9036 |
Chemical Identifiers
| CAS Number | 372976-28-8 |
|---|---|
| SMILES | CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC(=C)C |
Product Overview
3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (CAS 372976-28-8), with molecular formula C29H39N5 and molecular weight 457.32 g/mol. IUPAC: 3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
Property Insights of 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
The XLogP value of 6.2687 indicates that 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[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 47.57 Ų, 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[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, 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile has 0 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 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The CAS number of 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 372976-28-8.
What is the molecular formula of 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular formula of 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is C29H39N5.
What is the molecular weight of 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
The molecular weight of 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile is 457.32 g/mol.
Where can I buy 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
You can request a quote for 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[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 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-(4-(2-methylallyl)piperazin-1-yl)-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.