2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline
TL;DR: 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline (CAS 593237-46-8) is a chemical compound with molecular formula C12H18N4O4S and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline
Also Known As: 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline, 2-methyl-5-(4-(methylsulfonyl)piperazin-1-yl)-4-nitroaniline, 2-methyl-5-[4-(methylsulfonyl)piperazin-1-yl]-4-nitroaniline
| Molecular Formula | C12H18N4O4S |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 0.56702 |
| Topological Polar Surface Area | 109.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1049 |
| Heavy Atoms | 21 |
| Complexity | 666.08014 |
Chemical Identifiers
| CAS Number | 593237-46-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline (CAS 593237-46-8), with molecular formula C12H18N4O4S and molecular weight 314.10 g/mol. IUPAC: 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline.
Chemical Property Profile of 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline
Property Insights of 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline
The XLogP value of 0.56702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline. The TPSA of 109.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline. Following Lipinski's Rule of Five, 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-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 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline?
The CAS number of 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline is 593237-46-8.
What is the molecular formula of 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline?
The molecular formula of 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline is C12H18N4O4S.
What is the molecular weight of 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline?
The molecular weight of 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline is 314.10 g/mol.
Where can I buy 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline?
You can request a quote for 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.