1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid
TL;DR: 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid (CAS 25912-94-1) is a chemical compound with molecular formula C21H16N2O5S and molecular weight 408.078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-4-(4-methylanilino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid, 2-anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-, 1-amino-4-(4-methylanilino)-9,10-dioxoanthracene-2-sulfonic acid, 1-amino-4-[(4-methylphenyl)amino]-9,10-dioxoanthracene-2-sulfonic acid, 1-Amino-9,10-dihydro-9,10-dioxo-4-(p-toluidino)-2-anthracenesulfonic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H16N2O5S |
| Molecular Weight | 408.078 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.078 Da |
| Heavy Atoms | 29 |
| Complexity | 756.0 |
| SMILES | CC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
| InChIKey | BSXYUOSITLGJAD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid
Property Insights of 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid
The XLogP value of 3.9 indicates that 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid. Following Lipinski's Rule of Five, 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid has 3 hydrogen bond donor(s) and 7 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-toluidinoanthracene-2-sulphonic acid?
The CAS number of 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid is 25912-94-1.
What is the molecular formula of 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid?
The molecular formula of 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid is C21H16N2O5S.
What is the molecular weight of 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid?
The molecular weight of 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid is 408.078 g/mol.
Where can I buy 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid?
You can request a quote for 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic 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-toluidinoanthracene-2-sulphonic acid?
Yes, CoreyChem provides custom synthesis services for 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.