![N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline structure](/static/products/5932/593237-61-7.webp)
N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline
TL;DR: N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline (CAS 593237-61-7) is a chemical compound with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline
Also Known As: N-methyl-2-nitro-5-(4-tosylpiperazin-1-yl)aniline, N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline, N-methyl-5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitroaniline
| Molecular Formula | C18H22N4O4S |
|---|---|
| Molecular Weight | 390.14 g/mol |
| LogP | 2.45582 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.13617 |
| Heavy Atoms | 27 |
| Complexity | 936.33405 |
Chemical Identifiers
| CAS Number | 593237-61-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC |
Product Overview
N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline (CAS 593237-61-7), with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol. IUPAC: N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline.
Chemical Property Profile of N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline
Property Insights of N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline
The XLogP value of 2.45582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline. Following Lipinski's Rule of Five, N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-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-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline?
The CAS number of N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline is 593237-61-7.
What is the molecular formula of N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline?
The molecular formula of N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline is C18H22N4O4S.
What is the molecular weight of N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline?
The molecular weight of N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline is 390.14 g/mol.
Where can I buy N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline?
You can request a quote for N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-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-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.