RefChem:85448
TL;DR: RefChem:85448 (CAS 70900-41-3) is a chemical compound with molecular formula C32H22ClN6Na3O12S3 and molecular weight 881.98 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-(4-sulfonatophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt, 1-Amino-4-((3-((4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid, trisodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3), 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3), 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt
| Molecular Formula | C32H22ClN6Na3O12S3 |
|---|---|
| Molecular Weight | 881.98 g/mol |
| LogP | -5.18834 |
| Topological Polar Surface Area | 329.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 881.98395 |
| Heavy Atoms | 57 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 70900-41-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)Cl)OC3=CC=C(C=C3)S(=O)(=O)[O-])C)S(=O)(=O)[O-])C)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | BEWFIUGVZTWSRR-UHFFFAOYSA-K |
Product Overview
RefChem:85448 (CAS 70900-41-3), with molecular formula C32H22ClN6Na3O12S3 and molecular weight 881.98 g/mol. IUPAC: trisodium;1-amino-4-[3-[[4-chloro-6-(4-sulfonatophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:85448
Property Insights of RefChem:85448
The XLogP value of -5.18834 indicates that RefChem:85448 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 329.0 Ų indicates high polarity, suggesting RefChem:85448 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:85448 has 3 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:85448?
The CAS number of RefChem:85448 is 70900-41-3.
What is the molecular formula of RefChem:85448?
The molecular formula of RefChem:85448 is C32H22ClN6Na3O12S3.
What is the molecular weight of RefChem:85448?
The molecular weight of RefChem:85448 is 881.98 g/mol.
Where can I buy RefChem:85448?
You can request a quote for RefChem:85448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:85448?
Yes, KEHONG BIO provides custom synthesis services for RefChem:85448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.