RefChem:85455
TL;DR: RefChem:85455 (CAS 91109-82-9) is a chemical compound with molecular formula C20H11ClN2Na2O8S2 and molecular weight 551.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-amino-4-(4-chloro-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate
Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-((4-chloro-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt, 1-Amino-4-((4-chloro-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((4-chloro-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2), disodium 1-amino-4-[(4-chloro-3-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate, 2-Anthracenesulfonic acid, 1-amino-4-[(4-chloro-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-, disodium salt
| Molecular Formula | C20H11ClN2Na2O8S2 |
|---|---|
| Molecular Weight | 551.94 g/mol |
| LogP | -3.7426 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 551.9441 |
| Heavy Atoms | 35 |
| Complexity | 981.0 |
Chemical Identifiers
| CAS Number | 91109-82-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+] |
| InChIKey | COAPEVCOWDOAJI-UHFFFAOYSA-L |
Product Overview
RefChem:85455 (CAS 91109-82-9), with molecular formula C20H11ClN2Na2O8S2 and molecular weight 551.94 g/mol. IUPAC: disodium;1-amino-4-(4-chloro-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:85455
Property Insights of RefChem:85455
The XLogP value of -3.7426 indicates that RefChem:85455 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.0 Ų indicates high polarity, suggesting RefChem:85455 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:85455 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 RefChem:85455?
The CAS number of RefChem:85455 is 91109-82-9.
What is the molecular formula of RefChem:85455?
The molecular formula of RefChem:85455 is C20H11ClN2Na2O8S2.
What is the molecular weight of RefChem:85455?
The molecular weight of RefChem:85455 is 551.94 g/mol.
Where can I buy RefChem:85455?
You can request a quote for RefChem:85455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:85455?
Yes, KEHONG BIO provides custom synthesis services for RefChem:85455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.