![4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid structure](/static/products/3419/341967-72-4.webp)
4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid
TL;DR: 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid (CAS 341967-72-4) is a chemical compound with molecular formula C18H18ClN3O4 and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-nitrobenzoic acid
Also Known As: 4-[4-(4-chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid, 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-nitrobenzoic acid, 4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrobenzoic acid, 10N-058, 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-nitro-benzoic Acid
| Molecular Formula | C18H18ClN3O4 |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 3.2686 |
| Topological Polar Surface Area | 86.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.09857 |
| Heavy Atoms | 26 |
| Complexity | 817.686 |
Chemical Identifiers
| CAS Number | 341967-72-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] |
Product Overview
4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid (CAS 341967-72-4), with molecular formula C18H18ClN3O4 and molecular weight 375.10 g/mol. IUPAC: 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-nitrobenzoic acid.
Chemical Property Profile of 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid
Property Insights of 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid
The XLogP value of 3.2686 indicates that 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid. Following Lipinski's Rule of Five, 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid has 1 hydrogen bond donor(s) and 5 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-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid?
The CAS number of 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid is 341967-72-4.
What is the molecular formula of 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid?
The molecular formula of 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid is C18H18ClN3O4.
What is the molecular weight of 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid?
The molecular weight of 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid is 375.10 g/mol.
Where can I buy 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid?
You can request a quote for 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(4-Chlorobenzyl)piperazino]-3-nitrobenzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.