1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid
TL;DR: 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid (CAS 128-98-3) is a chemical compound with molecular formula C21H16N2O7S2 and molecular weight 472.0399 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 2-anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-, 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonic acid, 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluenesulphonamidoanthracene-2-sulphonic acid, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-(((4-methylphenyl)sulfonyl)amino)-9,10-dioxo-, 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluenesulfonamidoanthracene-2-sulfonic acid
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H16N2O7S2 |
| Molecular Weight | 472.0399 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.0399 Da |
| Heavy Atoms | 32 |
| Complexity | 961.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
| InChIKey | IIZQAPDECJYKDK-UHFFFAOYSA-N |
Chemical Property Profile of 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid
Property Insights of 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid. The TPSA of 177.0 Ų indicates high polarity, suggesting 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid?
The CAS number of 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid is 128-98-3.
What is the molecular formula of 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid?
The molecular formula of 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid is C21H16N2O7S2.
What is the molecular weight of 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid?
The molecular weight of 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid is 472.0399 g/mol.
Where can I buy 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid?
You can request a quote for 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid?
Yes, CoreyChem provides custom synthesis services for 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.