![4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid structure](/static/products/4782/478246-45-6.webp)
4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid
TL;DR: 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid (CAS 478246-45-6) is a chemical compound with molecular formula C17H16ClN3O4 and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid
Also Known As: 4-[4-(4-chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid, 4-[4-(4-chlorophenyl)piperazino]-3-nitrobenzenecarboxylic acid, 4-[4-(4-chlorophenyl)piperazin-1-yl]-3-nitrobenzoicacid, 4-[4-(4-chlorophenyl)piperazin-1-yl]-3-nitro-benzoic Acid
| Molecular Formula | C17H16ClN3O4 |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 3.273 |
| Topological Polar Surface Area | 86.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.08295 |
| Heavy Atoms | 25 |
| Complexity | 802.0403 |
Chemical Identifiers
| CAS Number | 478246-45-6 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] |
Product Overview
4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid (CAS 478246-45-6), with molecular formula C17H16ClN3O4 and molecular weight 361.08 g/mol. IUPAC: 4-[4-(4-chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid.
Chemical Property Profile of 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid
Property Insights of 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid
The XLogP value of 3.273 indicates that 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic 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-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic 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-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid?
The CAS number of 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid is 478246-45-6.
What is the molecular formula of 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid?
The molecular formula of 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid is C17H16ClN3O4.
What is the molecular weight of 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid?
The molecular weight of 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid is 361.08 g/mol.
Where can I buy 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid?
You can request a quote for 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic 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-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(4-Chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.