![5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline structure](/static/products/4337/433700-58-4.webp)
5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline
TL;DR: 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline (CAS 433700-58-4) is a chemical compound with molecular formula C26H30N4O3 and molecular weight 446.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline
Also Known As: 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline, A3146/0132996, N-[5-(4-BENZYLPIPERAZINO)-2-NITROPHENYL]-N-[2-(3-METHYLPHENOXY)ETHYL]AMINE
| Molecular Formula | C26H30N4O3 |
|---|---|
| Molecular Weight | 446.23 g/mol |
| LogP | 4.71632 |
| Topological Polar Surface Area | 70.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.23178 |
| Heavy Atoms | 33 |
| Complexity | 1066.142 |
Chemical Identifiers
| CAS Number | 433700-58-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline (CAS 433700-58-4), with molecular formula C26H30N4O3 and molecular weight 446.23 g/mol. IUPAC: 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline.
Chemical Property Profile of 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline
Property Insights of 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline
The XLogP value of 4.71632 indicates that 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline. Following Lipinski's Rule of Five, 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline has 1 hydrogen bond donor(s) and 6 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 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline?
The CAS number of 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline is 433700-58-4.
What is the molecular formula of 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline?
The molecular formula of 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline is C26H30N4O3.
What is the molecular weight of 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline?
The molecular weight of 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline is 446.23 g/mol.
Where can I buy 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline?
You can request a quote for 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-benzylpiperazin-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.