2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride
TL;DR: 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride (CAS 94232-01-6) is a chemical compound with molecular formula C12H12ClN3O5S and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminoanilino)-5-nitrobenzenesulfonic acid;hydrochloride
Also Known As: EINECS 303-925-0, 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride, 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid hydrochloride, 2-[(4-AMINOPHENYL)AMINO]-5-NITROBENZENESULPHONIC ACID HYDROCHLORIDE, 2-[(4-Aminophenyl)amino]-5-nitrobenzenesulfonic acid hydrochloride
| Molecular Formula | C12H12ClN3O5S |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 2.5891 |
| Topological Polar Surface Area | 135.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.01862 |
| Heavy Atoms | 22 |
| Complexity | 792.90906 |
Chemical Identifiers
| CAS Number | 94232-01-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.Cl |
Product Overview
2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride (CAS 94232-01-6), with molecular formula C12H12ClN3O5S and molecular weight 345.02 g/mol. IUPAC: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid;hydrochloride.
Chemical Property Profile of 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride
Property Insights of 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride
The XLogP value of 2.5891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride. The TPSA of 135.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride. Following Lipinski's Rule of Five, 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride has 3 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 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride?
The CAS number of 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride is 94232-01-6.
What is the molecular formula of 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride?
The molecular formula of 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride is C12H12ClN3O5S.
What is the molecular weight of 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride?
The molecular weight of 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride is 345.02 g/mol.
Where can I buy 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride?
You can request a quote for 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Aminophenyl)amino)-5-nitrobenzenesulphonic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.