![2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile structure](/static/products/442/442572-90-9.png)
2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 442572-90-9) is a chemical compound with molecular formula C29H32FN5O and molecular weight 485.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 2-butyl-1-(4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 2-BUTYL-1-[4-(3-FLUORO-4-METHOXYBENZYL)-1-PIPERAZINYL]-3-METHYLPYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE, 2-BUTYL-1-[4-(3-FLUORO-4-METHOXYBENZYL)PIPERAZINO]-3-METHYLPYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE, 2-butyl-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C29H32FN5O |
|---|---|
| Molecular Weight | 485.26 g/mol |
| LogP | 5.4801 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.2591 |
| Heavy Atoms | 36 |
| Complexity | 1446.087 |
Chemical Identifiers
| CAS Number | 442572-90-9 |
|---|---|
| SMILES | CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=CC(=C(C=C5)OC)F |
Product Overview
2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 442572-90-9), with molecular formula C29H32FN5O and molecular weight 485.26 g/mol. IUPAC: 2-butyl-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 5.4801 indicates that 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-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-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-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-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 442572-90-9.
What is the molecular formula of 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is C29H32FN5O.
What is the molecular weight of 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 485.26 g/mol.
Where can I buy 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
You can request a quote for 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-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-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-butyl-1-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.