RefChem:85443
TL;DR: RefChem:85443 (CAS 72829-24-4) is a chemical compound with molecular formula C30H19ClN7Na3O11S3 and molecular weight 852.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;1-amino-4-[3-[[4-chloro-6-(2-methyl-4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3), 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-s-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt, 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3), 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt
| Molecular Formula | C30H19ClN7Na3O11S3 |
|---|---|
| Molecular Weight | 852.97 g/mol |
| LogP | -5.85388 |
| Topological Polar Surface Area | 332.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 852.9686 |
| Heavy Atoms | 55 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 72829-24-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=C(C=CC(=C3)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | GDGCDFSPBXJJSF-UHFFFAOYSA-K |
Product Overview
RefChem:85443 (CAS 72829-24-4), with molecular formula C30H19ClN7Na3O11S3 and molecular weight 852.97 g/mol. IUPAC: trisodium;1-amino-4-[3-[[4-chloro-6-(2-methyl-4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:85443
Property Insights of RefChem:85443
The XLogP value of -5.85388 indicates that RefChem:85443 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 332.0 Ų indicates high polarity, suggesting RefChem:85443 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:85443 has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:85443?
The CAS number of RefChem:85443 is 72829-24-4.
What is the molecular formula of RefChem:85443?
The molecular formula of RefChem:85443 is C30H19ClN7Na3O11S3.
What is the molecular weight of RefChem:85443?
The molecular weight of RefChem:85443 is 852.97 g/mol.
Where can I buy RefChem:85443?
You can request a quote for RefChem:85443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:85443?
Yes, KEHONG BIO provides custom synthesis services for RefChem:85443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.