RefChem:85470
TL;DR: RefChem:85470 (CAS 67905-57-1) is a chemical compound with molecular formula C22H17N3Na2O8S2 and molecular weight 561.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-amino-4-[4-(methylaminomethyl)-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Also Known As: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[(methylamino)methyl]-2-sulfophenyl]amino]-9,10-dioxo-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-((methylamino)methyl)-2-sulfophenyl)amino)-9,10-dioxo-, sodium salt (1:2), disodium 1-amino-4-({4-[(methylamino)methyl]-2-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-((methylamino)methyl)-2-sulfophenyl)amino)-9,10-dioxo-, disodium salt, Disodium 1-amino-9,10-dihydro-4-[[4-[(methylamino)methyl]-2-sulphonatophenyl]amino]-9,10-dioxoanthracene-2-sulphonate
| Molecular Formula | C22H17N3Na2O8S2 |
|---|---|
| Molecular Weight | 561.03 g/mol |
| LogP | -4.68 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 561.02527 |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 67905-57-1 |
|---|---|
| SMILES | CNCC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | JUMQRWRPQINKPI-UHFFFAOYSA-L |
Product Overview
RefChem:85470 (CAS 67905-57-1), with molecular formula C22H17N3Na2O8S2 and molecular weight 561.03 g/mol. IUPAC: disodium;1-amino-4-[4-(methylaminomethyl)-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:85470
Property Insights of RefChem:85470
The XLogP value of -4.68 indicates that RefChem:85470 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.0 Ų indicates high polarity, suggesting RefChem:85470 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:85470 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 RefChem:85470?
The CAS number of RefChem:85470 is 67905-57-1.
What is the molecular formula of RefChem:85470?
The molecular formula of RefChem:85470 is C22H17N3Na2O8S2.
What is the molecular weight of RefChem:85470?
The molecular weight of RefChem:85470 is 561.03 g/mol.
Where can I buy RefChem:85470?
You can request a quote for RefChem:85470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:85470?
Yes, KEHONG BIO provides custom synthesis services for RefChem:85470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.