![N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline structure](/static/products/3473/347356-07-4.webp)
N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline
TL;DR: N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline (CAS 347356-07-4) is a chemical compound with molecular formula C18H21ClN4O4S and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline
Also Known As: A2546/0108392, N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline, (4-chlorobenzyl){5-[4-(methylsulfonyl)-1-piperazinyl]-2-nitrophenyl}amine, N-(4-chlorobenzyl)-5-(4-(methylsulfonyl)piperazin-1-yl)-2-nitroaniline, N-(4-chlorobenzyl)-5-[4-(methylsulfonyl)piperazin-1-yl]-2-nitroaniline
| Molecular Formula | C18H21ClN4O4S |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 2.9419 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.0972 |
| Heavy Atoms | 28 |
| Complexity | 958.05096 |
Chemical Identifiers
| CAS Number | 347356-07-4 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl |
Product Overview
N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline (CAS 347356-07-4), with molecular formula C18H21ClN4O4S and molecular weight 424.10 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline.
Chemical Property Profile of N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline
Property Insights of N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline
The XLogP value of 2.9419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-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-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline?
The CAS number of N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline is 347356-07-4.
What is the molecular formula of N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline?
The molecular formula of N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline is C18H21ClN4O4S.
What is the molecular weight of N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline?
The molecular weight of N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline is 424.10 g/mol.
Where can I buy N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline?
You can request a quote for N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-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-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.