4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid
TL;DR: 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid (CAS 84803-59-8) is a chemical compound with molecular formula C12H9ClN2O5S and molecular weight 327.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloroanilino)-3-nitrobenzenesulfonic acid
Also Known As: EINECS 284-186-0, 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid, 4-(4-chloroanilino)-3-nitrobenzenesulfonic acid, 4-[(4-CHLOROPHENYL)AMINO]-3-NITROBENZENESULFONIC ACID, 4-(4-chloro-anilino)-3-nitro-benzenesulfonic acid
| Molecular Formula | C12H9ClN2O5S |
|---|---|
| Molecular Weight | 327.99 g/mol |
| LogP | 3.2385 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.99207 |
| Heavy Atoms | 21 |
| Complexity | 789.7951 |
Chemical Identifiers
| CAS Number | 84803-59-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])Cl |
Product Overview
4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid (CAS 84803-59-8), with molecular formula C12H9ClN2O5S and molecular weight 327.99 g/mol. IUPAC: 4-(4-chloroanilino)-3-nitrobenzenesulfonic acid.
Chemical Property Profile of 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid
Property Insights of 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid
The XLogP value of 3.2385 indicates that 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid. Following Lipinski's Rule of Five, 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid has 2 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-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid?
The CAS number of 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid is 84803-59-8.
What is the molecular formula of 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid?
The molecular formula of 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid is C12H9ClN2O5S.
What is the molecular weight of 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid?
The molecular weight of 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid is 327.99 g/mol.
Where can I buy 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid?
You can request a quote for 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic 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-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.