4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline
TL;DR: 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline (CAS 718600-73-8) is a chemical compound with molecular formula C22H28BrN3O3 and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]phenyl]piperazin-1-yl]ethanone
Also Known As: AP-970/42525054, 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline, 1-[4-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]phenyl]piperazin-1-yl]ethanone, 1-(4-{4-[(3-bromo-4-ethoxy-5-methoxybenzyl)amino]phenyl}piperazin-1-yl)ethanone, 1-[4-[4-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]phenyl]piperazin-1-yl]ethanone
| Molecular Formula | C22H28BrN3O3 |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 4.137 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.1314 |
| Heavy Atoms | 29 |
| Complexity | 833.9413 |
Chemical Identifiers
| CAS Number | 718600-73-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1Br)CNC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)OC |
Product Overview
4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline (CAS 718600-73-8), with molecular formula C22H28BrN3O3 and molecular weight 461.13 g/mol. IUPAC: 1-[4-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]phenyl]piperazin-1-yl]ethanone.
Chemical Property Profile of 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline
Property Insights of 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline
The XLogP value of 4.137 indicates that 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.04 Ų, 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline has 1 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 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline?
The CAS number of 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline is 718600-73-8.
What is the molecular formula of 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline?
The molecular formula of 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline is C22H28BrN3O3.
What is the molecular weight of 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline?
The molecular weight of 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline is 461.13 g/mol.
Where can I buy 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline?
You can request a quote for 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-acetyl-1-piperazinyl)-N-(3-bromo-4-ethoxy-5-methoxybenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.