5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
TL;DR: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline (CAS 347310-97-8) is a chemical compound with molecular formula C19H24N4O4S and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
Also Known As: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline, [5-(4-mesylpiperazino)-2-nitro-phenyl]-(1-phenylethyl)amine, 5-(4-(methylsulfonyl)piperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline, 5-[4-(methylsulfonyl)-1-piperazinyl]-2-nitro-N-(1-phenylethyl)aniline, 1-(methylsulfonyl)-4-{4-nitro-3-[(phenylethyl)amino]phenyl}piperazine
| Molecular Formula | C19H24N4O4S |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 2.8495 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.15182 |
| Heavy Atoms | 28 |
| Complexity | 941.6609 |
Chemical Identifiers
| CAS Number | 347310-97-8 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline (CAS 347310-97-8), with molecular formula C19H24N4O4S and molecular weight 404.15 g/mol. IUPAC: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline.
Chemical Property Profile of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
Property Insights of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
The XLogP value of 2.8495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline. Following Lipinski's Rule of Five, 5-(4-methylsulfonylpiperazin-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-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
The CAS number of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline is 347310-97-8.
What is the molecular formula of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
The molecular formula of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline is C19H24N4O4S.
What is the molecular weight of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
The molecular weight of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline is 404.15 g/mol.
Where can I buy 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
You can request a quote for 5-(4-methylsulfonylpiperazin-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-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.