Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid
TL;DR: Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid (CAS 6424-85-7) is a chemical compound with molecular formula C22H17N3NaO6S+ and molecular weight 474.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: acid blue 40, sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid, Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonicacid, sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxo-anthracene-2-sulfonic acid, 2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl] amino]-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt
| Molecular Formula | C22H17N3NaO6S+ |
|---|---|
| Molecular Weight | 474.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.07358 |
| Heavy Atoms | 33 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 6424-85-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.[Na+] |
| InChIKey | NTOOJLUHUFUGQI-UHFFFAOYSA-N |
Product Overview
Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid (CAS 6424-85-7), with molecular formula C22H17N3NaO6S+ and molecular weight 474.07 g/mol. IUPAC: sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid
Property Insights of Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid. The TPSA of 164.0 Ų indicates high polarity, suggesting Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-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 Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid?
The CAS number of Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid is 6424-85-7.
What is the molecular formula of Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid?
The molecular formula of Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid is C22H17N3NaO6S+.
What is the molecular weight of Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid?
The molecular weight of Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid is 474.07 g/mol.
Where can I buy Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid?
You can request a quote for Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-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 Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.