Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt
TL;DR: Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt (CAS 72187-21-4) is a chemical compound with molecular formula C30H22Cl2N2Na2O8S2 and molecular weight 718.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[[6,7-dichloro-4-(2,6-dimethyl-3-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-dimethylbenzenesulfonate
Also Known As: Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt, Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, sodium salt (1:2), Benzenesulfonic acid, 3(or 4)-[[6,7-dichloro-4-[(2,6-dimethylsulfophenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-2,4(or 3,5)-dimethyl-, disodium salt, Benzenesulfonic acid, 3(or 4)-[[6,7-dichloro-4-[(2,6-dimethylsulfophenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-2,4(or 3,5)-dimethyl-, sodium salt (1:2), Disodium 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulphonatophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthryl)amino)-2,4(or 3,5)-dimethylbenzenesulphonate
| Molecular Formula | C30H22Cl2N2Na2O8S2 |
|---|---|
| Molecular Weight | 718.00 g/mol |
| LogP | 0.30588 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 717.999 |
| Heavy Atoms | 46 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 72187-21-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)S(=O)(=O)[O-])C)NC2=C3C(=C(C=C2)NC4=C(C=CC(=C4C)S(=O)(=O)[O-])C)C(=O)C5=CC(=C(C=C5C3=O)Cl)Cl.[Na+].[Na+] |
| InChIKey | DIDZRMSJHNAXAP-UHFFFAOYSA-L |
Product Overview
Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt (CAS 72187-21-4), with molecular formula C30H22Cl2N2Na2O8S2 and molecular weight 718.00 g/mol. IUPAC: disodium;3-[[6,7-dichloro-4-(2,6-dimethyl-3-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-dimethylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt
Property Insights of Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt
The XLogP value of 0.30588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt. The TPSA of 189.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt has 2 hydrogen bond donor(s) and 10 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(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt?
The CAS number of Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt is 72187-21-4.
What is the molecular formula of Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt?
The molecular formula of Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt is C30H22Cl2N2Na2O8S2.
What is the molecular weight of Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt?
The molecular weight of Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt is 718.00 g/mol.
Where can I buy Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt?
You can request a quote for Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, 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(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3(or 4)-((6,7-dichloro-4-((2,6-dimethylsulfophenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-2,4(or 3,5)-dimethyl-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.