C27H28N2O9S2.xNa
TL;DR: C27H28N2O9S2.xNa (CAS 72828-68-3) is a chemical compound with molecular formula C27H26N2Na2O9S2 and molecular weight 632.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;8-(4-tert-butyl-2-sulfonatoanilino)-1-hydroxy-9,10-dioxo-5-(propan-2-ylamino)anthracene-2-sulfonate
Also Known As: 2-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt, 2-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt (1:?), 2-Anthracenesulfonic acid, 8-[[4-(1,1-dimethylethyl)-2-sulfophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxo-, sodium salt, 8-((4-(1,1-Dimethylethyl)-2-sulfophenyl)amino)-1-hydroxy-5-((1-methylethyl)amino)anthraquinone-2-sulfonic acid, sodium salt, Disodium 8-((4-(1,1-dimethylethyl)-2-sulphonatophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxoanthracene-2-sulphonate
| Molecular Formula | C27H26N2Na2O9S2 |
|---|---|
| Molecular Weight | 632.09 g/mol |
| LogP | -2.1548 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 632.0875 |
| Heavy Atoms | 42 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 72828-68-3 |
|---|---|
| SMILES | CC(C)NC1=C2C(=C(C=C1)NC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)[O-])C(=O)C4=C(C2=O)C=CC(=C4O)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | FSNNTIUWZWTFTK-UHFFFAOYSA-L |
Product Overview
C27H28N2O9S2.xNa (CAS 72828-68-3), with molecular formula C27H26N2Na2O9S2 and molecular weight 632.09 g/mol. IUPAC: disodium;8-(4-tert-butyl-2-sulfonatoanilino)-1-hydroxy-9,10-dioxo-5-(propan-2-ylamino)anthracene-2-sulfonate.
Chemical Property Profile of C27H28N2O9S2.xNa
Property Insights of C27H28N2O9S2.xNa
The XLogP value of -2.1548 indicates that C27H28N2O9S2.xNa is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.0 Ų indicates high polarity, suggesting C27H28N2O9S2.xNa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C27H28N2O9S2.xNa has 3 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 C27H28N2O9S2.xNa?
The CAS number of C27H28N2O9S2.xNa is 72828-68-3.
What is the molecular formula of C27H28N2O9S2.xNa?
The molecular formula of C27H28N2O9S2.xNa is C27H26N2Na2O9S2.
What is the molecular weight of C27H28N2O9S2.xNa?
The molecular weight of C27H28N2O9S2.xNa is 632.09 g/mol.
Where can I buy C27H28N2O9S2.xNa?
You can request a quote for C27H28N2O9S2.xNa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H28N2O9S2.xNa?
Yes, KEHONG BIO provides custom synthesis services for C27H28N2O9S2.xNa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.