![1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid structure](/static/products/5983/59836-93-0.webp)
1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
TL;DR: 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid (CAS 59836-93-0) is a chemical compound with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[4-(methylamino)anilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 1-amino-4-[4-(methylamino)anilino]-9,10-dioxoanthracene-2-su, 1-amino-4-[4-(methylamino)anilino]-9,10-dioxoanthracene-2-sulfonic acid, 1-amino-4-[4-(methylamino)anilino]-9,10-dioxo-anthracene-2-sulfonic acid, 1-Amino-4-[4-(methylamino)anilino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
| Molecular Formula | C21H17N3O5S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.0889 |
| Heavy Atoms | 30 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 59836-93-0 |
|---|---|
| SMILES | CNC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
| InChIKey | HZKAPKKKJAJPQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid (CAS 59836-93-0), with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol. IUPAC: 1-amino-4-[4-(methylamino)anilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Property Insights of 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
The XLogP value of 3.6 indicates that 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid has 4 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 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid?
The CAS number of 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid is 59836-93-0.
What is the molecular formula of 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid?
The molecular formula of 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid is C21H17N3O5S.
What is the molecular weight of 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid?
The molecular weight of 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid is 423.09 g/mol.
Where can I buy 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid?
You can request a quote for 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.