5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline
TL;DR: 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline (CAS 524034-72-8) is a chemical compound with molecular formula C23H31N5O5S and molecular weight 489.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline
Also Known As: 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline, 4-{3-[(2-morpholin-4-ylethyl)amino]-4-nitrophenyl}-1-[benzylsulfonyl]piperazin e, 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitro-aniline, 5-[4-(benzylsulfonyl)piperazin-1-yl]-N-[2-(morpholin-4-yl)ethyl]-2-nitroaniline
| Molecular Formula | C23H31N5O5S |
|---|---|
| Molecular Weight | 489.20 g/mol |
| LogP | 1.9909 |
| Topological Polar Surface Area | 108.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.2046 |
| Heavy Atoms | 34 |
| Complexity | 1068.4133 |
Chemical Identifiers
| CAS Number | 524034-72-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCN3CCOCC3)S(=O)(=O)CC4=CC=CC=C4 |
Product Overview
5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline (CAS 524034-72-8), with molecular formula C23H31N5O5S and molecular weight 489.20 g/mol. IUPAC: 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline.
Chemical Property Profile of 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline
Property Insights of 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline
The XLogP value of 1.9909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline. The TPSA of 108.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline. Following Lipinski's Rule of Five, 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline has 1 hydrogen bond donor(s) and 8 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-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
The CAS number of 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline is 524034-72-8.
What is the molecular formula of 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
The molecular formula of 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline is C23H31N5O5S.
What is the molecular weight of 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
The molecular weight of 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline is 489.20 g/mol.
Where can I buy 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
You can request a quote for 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-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-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.