![3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid structure](/static/products/3740/374084-82-9.webp)
3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid
TL;DR: 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid (CAS 374084-82-9) is a chemical compound with molecular formula C23H20ClN5O6 and molecular weight 497.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid
Also Known As: 3-[5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid, 3-((5-(4-(2-chlorophenyl)piperazin-1-yl)-2,4-dinitrophenyl)amino)benzoic acid, 3-({5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitrophenyl}amino)benzoic acid, 3-[[5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitro-phenyl]amino]benzoic Acid
| Molecular Formula | C23H20ClN5O6 |
|---|---|
| Molecular Weight | 497.11 g/mol |
| LogP | 4.9248 |
| Topological Polar Surface Area | 142.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.1102 |
| Heavy Atoms | 35 |
| Complexity | 1309.3094 |
Chemical Identifiers
| CAS Number | 374084-82-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2Cl)C3=C(C=C(C(=C3)NC4=CC=CC(=C4)C(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid (CAS 374084-82-9), with molecular formula C23H20ClN5O6 and molecular weight 497.11 g/mol. IUPAC: 3-[5-[4-(2-chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid.
Chemical Property Profile of 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid
Property Insights of 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid
The XLogP value of 4.9248 indicates that 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.09 Ų indicates high polarity, suggesting 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid has 2 hydrogen bond donor(s) and 8 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 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid?
The CAS number of 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid is 374084-82-9.
What is the molecular formula of 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid?
The molecular formula of 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid is C23H20ClN5O6.
What is the molecular weight of 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid?
The molecular weight of 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid is 497.11 g/mol.
Where can I buy 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid?
You can request a quote for 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[4-(2-Chlorophenyl)piperazin-1-yl]-2,4-dinitroanilino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.