Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt
TL;DR: Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt (CAS 93008-91-4) is a chemical compound with molecular formula C26H24N2Na2O11S2 and molecular weight 650.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[[4-amino-3-(2-hydroxy-3-sulfonatooxypropoxy)-9,10-dioxoanthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate
Also Known As: Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt, Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, sodium salt (1:2), Benzenesulfonic acid, 3-[[4-amino-9,10-dihydro-3-[2-hydroxy-3-(sulfooxy)propoxy]-9,10-dioxo-1-anthracenyl]amino]-2,4,6-trimethyl-, disodium salt, Benzenesulfonic acid, 3-[[4-amino-9,10-dihydro-3-[2-hydroxy-3-(sulfooxy)propoxy]-9,10-dioxo-1-anthracenyl]amino]-2,4,6-trimethyl-, sodium salt (1:2), disodium 3-({4-amino-3-[2-hydroxy-3-(sulfonatooxy)propoxy]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonate
| Molecular Formula | C26H24N2Na2O11S2 |
|---|---|
| Molecular Weight | 650.06 g/mol |
| LogP | -4.15834 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 650.0617 |
| Heavy Atoms | 43 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 93008-91-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OCC(COS(=O)(=O)[O-])O)C)S(=O)(=O)[O-])C.[Na+].[Na+] |
| InChIKey | GFQNVNHHOAYNSO-UHFFFAOYSA-L |
Product Overview
Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt (CAS 93008-91-4), with molecular formula C26H24N2Na2O11S2 and molecular weight 650.06 g/mol. IUPAC: disodium;3-[[4-amino-3-(2-hydroxy-3-sulfonatooxypropoxy)-9,10-dioxoanthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt
Property Insights of Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt
The XLogP value of -4.15834 indicates that Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt?
The CAS number of Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt is 93008-91-4.
What is the molecular formula of Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt?
The molecular formula of Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt is C26H24N2Na2O11S2.
What is the molecular weight of Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt?
The molecular weight of Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt is 650.06 g/mol.
Where can I buy Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt?
You can request a quote for Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-3-(2-hydroxy-3-(sulfooxy)propoxy)-9,10-dioxo-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.