3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid
TL;DR: 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid (CAS 94094-80-1) is a chemical compound with molecular formula C12H9N3O8S and molecular weight 355.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxyanilino)-2,6-dinitrobenzenesulfonic acid
Also Known As: EINECS 302-181-4, 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid, 3-[ amino]-2,6-dinitrobenzenesulphonicacid, 3-[(4-HYDROXYPHENYL)AMINO]-2,6-DINITROBENZENESULFONIC ACID, 3-(4-hydroxyanilino)-2,6-dinitrobenzenesulfonic acid
| Molecular Formula | C12H9N3O8S |
|---|---|
| Molecular Weight | 355.01 g/mol |
| LogP | 2.1989 |
| Topological Polar Surface Area | 172.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.01105 |
| Heavy Atoms | 24 |
| Complexity | 924.06433 |
Chemical Identifiers
| CAS Number | 94094-80-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C(=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])O |
Product Overview
3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid (CAS 94094-80-1), with molecular formula C12H9N3O8S and molecular weight 355.01 g/mol. IUPAC: 3-(4-hydroxyanilino)-2,6-dinitrobenzenesulfonic acid.
Chemical Property Profile of 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid
Property Insights of 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid
The XLogP value of 2.1989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid. The TPSA of 172.91 Ų indicates high polarity, suggesting 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid has 3 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-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid?
The CAS number of 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid is 94094-80-1.
What is the molecular formula of 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid?
The molecular formula of 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid is C12H9N3O8S.
What is the molecular weight of 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid?
The molecular weight of 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid is 355.01 g/mol.
Where can I buy 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid?
You can request a quote for 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.