Sulfoparablue
TL;DR: Sulfoparablue (CAS 81-69-6) is a chemical compound with molecular formula C20H15N3O8S2 and molecular weight 489.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: Sulfoparablue, 2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-, 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid, 2-Anthracenesulfonicacid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-, 1-Amino-2-sulfo-4-(4'-amino-3'-sulfoanilino)anthraquinone
| Molecular Formula | C20H15N3O8S2 |
|---|---|
| Molecular Weight | 489.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.03006 |
| Heavy Atoms | 33 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 81-69-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N |
| InChIKey | VZKVROOYNMPMLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfoparablue (CAS 81-69-6), with molecular formula C20H15N3O8S2 and molecular weight 489.03 g/mol. IUPAC: 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of Sulfoparablue
Property Insights of Sulfoparablue
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfoparablue. The TPSA of 224.0 Ų indicates high polarity, suggesting Sulfoparablue may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfoparablue has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfoparablue?
The CAS number of Sulfoparablue is 81-69-6.
What is the molecular formula of Sulfoparablue?
The molecular formula of Sulfoparablue is C20H15N3O8S2.
What is the molecular weight of Sulfoparablue?
The molecular weight of Sulfoparablue is 489.03 g/mol.
Where can I buy Sulfoparablue?
You can request a quote for Sulfoparablue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfoparablue?
Yes, KEHONG BIO provides custom synthesis services for Sulfoparablue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.