![1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine structure](/static/products/4304/430446-78-9.webp)
1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine
TL;DR: 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine (CAS 430446-78-9) 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-(2-phenylethyl)aniline
Also Known As: AB00112711-01, 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-phenethylaniline, 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(2-phenylethyl)aniline, 1-(ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine, 5-[4-(ethylsulfonyl)piperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline
| Molecular Formula | C20H26N4O4S |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 2.7211 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.16748 |
| Heavy Atoms | 29 |
| Complexity | 942.2085 |
Chemical Identifiers
| CAS Number | 430446-78-9 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3 |
Product Overview
1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine (CAS 430446-78-9), with molecular formula C20H26N4O4S and molecular weight 418.17 g/mol. IUPAC: 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(2-phenylethyl)aniline.
Chemical Property Profile of 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine
Property Insights of 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine
The XLogP value of 2.7211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine. Following Lipinski's Rule of Five, 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine 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 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine?
The CAS number of 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine is 430446-78-9.
What is the molecular formula of 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine?
The molecular formula of 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine is C20H26N4O4S.
What is the molecular weight of 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine?
The molecular weight of 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine is 418.17 g/mol.
Where can I buy 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine?
You can request a quote for 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(Ethylsulfonyl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.