![N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline structure](/static/products/3270/327050-45-3.webp)
N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline
TL;DR: N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline (CAS 327050-45-3) is a chemical compound with molecular formula C21H28N4O3 and molecular weight 384.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline
Also Known As: BIM-0006723.P001, N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline
| Molecular Formula | C21H28N4O3 |
|---|---|
| Molecular Weight | 384.22 g/mol |
| LogP | 3.45434 |
| Topological Polar Surface Area | 70.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.21616 |
| Heavy Atoms | 28 |
| Complexity | 832.39557 |
Chemical Identifiers
| CAS Number | 327050-45-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCCNC2=C(C=CC(=C2)N3CCN(CC3)C)[N+](=O)[O-])C |
Product Overview
N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline (CAS 327050-45-3), with molecular formula C21H28N4O3 and molecular weight 384.22 g/mol. IUPAC: N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline.
Chemical Property Profile of N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline
Property Insights of N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline
The XLogP value of 3.45434 indicates that N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-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 N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline. Following Lipinski's Rule of Five, N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-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 N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
The CAS number of N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline is 327050-45-3.
What is the molecular formula of N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
The molecular formula of N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline is C21H28N4O3.
What is the molecular weight of N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
The molecular weight of N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline is 384.22 g/mol.
Where can I buy N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
You can request a quote for N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.