N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline
TL;DR: N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline (CAS 430449-03-9) 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.
N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline
Also Known As: AB00112738-01, N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline, 1-(ethylsulfonyl)-4-{4-nitro-3-[benzylamino]phenyl}piperazine, N-benzyl-5-[4-(ethylsulfonyl)-1-piperazinyl]-2-nitroaniline, N-benzyl-5-[4-(ethylsulfonyl)piperazin-1-yl]-2-nitroaniline
| Molecular Formula | C19H24N4O4S |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 2.6786 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.15182 |
| Heavy Atoms | 28 |
| Complexity | 926.2047 |
Chemical Identifiers
| CAS Number | 430449-03-9 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3 |
Product Overview
N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline (CAS 430449-03-9), with molecular formula C19H24N4O4S and molecular weight 404.15 g/mol. IUPAC: N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline.
Chemical Property Profile of N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline
Property Insights of N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline
The XLogP value of 2.6786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline. Following Lipinski's Rule of Five, N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-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 N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline?
The CAS number of N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline is 430449-03-9.
What is the molecular formula of N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline?
The molecular formula of N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline is C19H24N4O4S.
What is the molecular weight of N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline?
The molecular weight of N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline is 404.15 g/mol.
Where can I buy N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline?
You can request a quote for N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.