5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline
TL;DR: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline (CAS 774564-05-5) is a chemical compound with molecular formula C14H22N4O4S and molecular weight 342.14 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-propan-2-ylaniline
Also Known As: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline, 5-[4-(methylsulfonyl)piperazin-1-yl]-2-nitro-N-(propan-2-yl)aniline
| Molecular Formula | C14H22N4O4S |
|---|---|
| Molecular Weight | 342.14 g/mol |
| LogP | 1.4967 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.13617 |
| Heavy Atoms | 23 |
| Complexity | 682.0177 |
Chemical Identifiers
| CAS Number | 774564-05-5 |
|---|---|
| SMILES | CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline (CAS 774564-05-5), with molecular formula C14H22N4O4S and molecular weight 342.14 g/mol. IUPAC: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline.
Chemical Property Profile of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline
Property Insights of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline
The XLogP value of 1.4967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline. 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-propan-2-ylaniline. Following Lipinski's Rule of Five, 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline 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-propan-2-ylaniline?
The CAS number of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline is 774564-05-5.
What is the molecular formula of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline?
The molecular formula of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline is C14H22N4O4S.
What is the molecular weight of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline?
The molecular weight of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline is 342.14 g/mol.
Where can I buy 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline?
You can request a quote for 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline 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-propan-2-ylaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.