5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
TL;DR: 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline (CAS 430446-82-5) is a chemical compound with molecular formula C20H26N4O4S and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
Also Known As: 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline, 5-[4-(ethylsulfonyl)-1-piperazinyl]-2-nitro-N-(1-phenylethyl)aniline, 5-[4-(ethylsulfonyl)piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline, A3007/0126703, [5-(4-esylpiperazino)-2-nitro-phenyl]-(1-phenylethyl)amine
| Molecular Formula | C20H26N4O4S |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 3.2396 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.16748 |
| Heavy Atoms | 29 |
| Complexity | 957.7014 |
Chemical Identifiers
| CAS Number | 430446-82-5 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C)C3=CC=CC=C3 |
Product Overview
5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline (CAS 430446-82-5), with molecular formula C20H26N4O4S and molecular weight 418.17 g/mol. IUPAC: 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline.
Chemical Property Profile of 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
Property Insights of 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
The XLogP value of 3.2396 indicates that 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline. Following Lipinski's Rule of Five, 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline 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-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
The CAS number of 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline is 430446-82-5.
What is the molecular formula of 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
The molecular formula of 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline is C20H26N4O4S.
What is the molecular weight of 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
The molecular weight of 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline is 418.17 g/mol.
Where can I buy 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
You can request a quote for 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.