![4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline structure](/static/products/4332/433245-25-1.webp)
4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline
TL;DR: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline (CAS 433245-25-1) 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.
4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline
Also Known As: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline, N,N-dimethyl-3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]aniline, Cambridge id 6876441
| Molecular Formula | C18H22N4O4S |
|---|---|
| Molecular Weight | 390.14 g/mol |
| LogP | 2.1717 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.13617 |
| Heavy Atoms | 27 |
| Complexity | 923.63275 |
Chemical Identifiers
| CAS Number | 433245-25-1 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline (CAS 433245-25-1), with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol. IUPAC: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline.
Chemical Property Profile of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline
Property Insights of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline
The XLogP value of 2.1717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline. Following Lipinski's Rule of Five, 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline has 0 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 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline?
The CAS number of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline is 433245-25-1.
What is the molecular formula of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline?
The molecular formula of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline is C18H22N4O4S.
What is the molecular weight of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline?
The molecular weight of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline is 390.14 g/mol.
Where can I buy 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline?
You can request a quote for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.