RefChem:465270
TL;DR: RefChem:465270 (CAS 23422-12-0) is a chemical compound with molecular formula C29H17ClN7Na3O11S3 and molecular weight 838.95 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-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Also Known As: Procion brilliant blue hgr, trisodium 1-amino-4-[3-[[4-chloro-6-(3-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate, trisodium;1-amino-4-[3-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate, 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-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-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt
| Molecular Formula | C29H17ClN7Na3O11S3 |
|---|---|
| Molecular Weight | 838.95 g/mol |
| LogP | -6.16 |
| Topological Polar Surface Area | 332.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 838.953 |
| Heavy Atoms | 54 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 23422-12-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])N.[Na+].[Na+].[Na+] |
| InChIKey | ROHGQIQUQCTSOK-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:465270 (CAS 23422-12-0), with molecular formula C29H17ClN7Na3O11S3 and molecular weight 838.95 g/mol. IUPAC: trisodium;1-amino-4-[3-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:465270
Property Insights of RefChem:465270
The XLogP value of -6.16 indicates that RefChem:465270 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:465270 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465270 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:465270?
The CAS number of RefChem:465270 is 23422-12-0.
What is the molecular formula of RefChem:465270?
The molecular formula of RefChem:465270 is C29H17ClN7Na3O11S3.
What is the molecular weight of RefChem:465270?
The molecular weight of RefChem:465270 is 838.95 g/mol.
Where can I buy RefChem:465270?
You can request a quote for RefChem:465270 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465270?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465270 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.