5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline
TL;DR: 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline (CAS 593238-16-5) is a chemical compound with molecular formula C13H20N4O4S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline
Also Known As: 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline, 5-[4-(ethylsulfonyl)piperazin-1-yl]-N-methyl-2-nitroaniline, 5-(4-(ethylsulfonyl)piperazin-1-yl)-N-methyl-2-nitroaniline
| Molecular Formula | C13H20N4O4S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 1.1082 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.1205 |
| Heavy Atoms | 22 |
| Complexity | 654.00397 |
Chemical Identifiers
| CAS Number | 593238-16-5 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC |
Product Overview
5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline (CAS 593238-16-5), with molecular formula C13H20N4O4S and molecular weight 328.12 g/mol. IUPAC: 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline.
Chemical Property Profile of 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline
Property Insights of 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline
The XLogP value of 1.1082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline. Following Lipinski's Rule of Five, 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-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-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline?
The CAS number of 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline is 593238-16-5.
What is the molecular formula of 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline?
The molecular formula of 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline is C13H20N4O4S.
What is the molecular weight of 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline?
The molecular weight of 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline is 328.12 g/mol.
Where can I buy 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline?
You can request a quote for 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-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-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-ethylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.