1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt
TL;DR: 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt (CAS 72749-90-7) is a chemical compound with molecular formula C40H45N2Na2O8S2+ and molecular weight 791.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1,4-bis[[1-(benzenesulfonyloxy)-5-methylhexan-3-yl]imino]-10-hydroxyanthracen-9-olate
Also Known As: 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt, Benzenesulfonic acid, ((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino(3-(2-methylpropyl)-3,1-propanediyl)))bis-, disodium salt, Benzenesulfonic acid, ((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino(3-(2-methylpropyl)-3,1-propanediyl)))bis-, sodium salt (1:2), Disodium ((9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis(imino(3-isopropylpropane-1,3-diyl)))bis(benzenesulphonate), Disodium [(9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis[imino[3-isopropylpropane-1,3-diyl]]]bis(benzenesulphonate)
| Molecular Formula | C40H45N2Na2O8S2+ |
|---|---|
| Molecular Weight | 791.24 g/mol |
| LogP | 1.1956 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 791.2413 |
| Heavy Atoms | 54 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 72749-90-7 |
|---|---|
| SMILES | CC(C)CC(CCOS(=O)(=O)C1=CC=CC=C1)N=C2C=CC(=NC(CCOS(=O)(=O)C3=CC=CC=C3)CC(C)C)C4=C(C5=CC=CC=C5C(=C24)O)[O-].[Na+].[Na+] |
| InChIKey | YIVVMFQZAAXPRI-UHFFFAOYSA-M |
Product Overview
1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt (CAS 72749-90-7), with molecular formula C40H45N2Na2O8S2+ and molecular weight 791.24 g/mol. IUPAC: disodium;1,4-bis[[1-(benzenesulfonyloxy)-5-methylhexan-3-yl]imino]-10-hydroxyanthracen-9-olate.
Chemical Property Profile of 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt
Property Insights of 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt
The XLogP value of 1.1956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt. The TPSA of 172.0 Ų indicates high polarity, suggesting 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt has 1 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 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt?
The CAS number of 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt is 72749-90-7.
What is the molecular formula of 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt?
The molecular formula of 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt is C40H45N2Na2O8S2+.
What is the molecular weight of 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt?
The molecular weight of 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt is 791.24 g/mol.
Where can I buy 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt?
You can request a quote for 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis((1-(sulfophenyl)-5-methyl-3-hexyl)amino)anthraquinone, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.