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N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline
TL;DR: N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline (CAS 347355-55-9) is a chemical compound with molecular formula C19H24N4O3 and molecular weight 356.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline
Also Known As: BAS 02737776, N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-(piperazin-1-yl)aniline, N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline, (2-Nitro-5-piperazin-1-yl-phenyl)-(2-o-tolyloxy-ethyl)-amine, [2-(2-methylphenoxy)ethyl](2-nitro-5-piperazinylphenyl)amine
| Molecular Formula | C19H24N4O3 |
|---|---|
| Molecular Weight | 356.18 g/mol |
| LogP | 2.80372 |
| Topological Polar Surface Area | 79.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.18484 |
| Heavy Atoms | 26 |
| Complexity | 760.1995 |
Chemical Identifiers
| CAS Number | 347355-55-9 |
|---|---|
| SMILES | CC1=CC=CC=C1OCCNC2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-] |
Product Overview
N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline (CAS 347355-55-9), with molecular formula C19H24N4O3 and molecular weight 356.18 g/mol. IUPAC: N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline.
Chemical Property Profile of N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline
Property Insights of N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline
The XLogP value of 2.80372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline. The TPSA of 79.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline. Following Lipinski's Rule of Five, N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline has 2 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-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline?
The CAS number of N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline is 347355-55-9.
What is the molecular formula of N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline?
The molecular formula of N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline is C19H24N4O3.
What is the molecular weight of N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline?
The molecular weight of N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline is 356.18 g/mol.
Where can I buy N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline?
You can request a quote for N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.