RefChem:85447
TL;DR: RefChem:85447 (CAS 70210-27-4) is a chemical compound with molecular formula C30H27ClN6Na2O10S2 and molecular weight 776.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-amino-4-[3-[[4-chloro-6-(2-ethoxyethoxy)-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-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt, 1-Amino-4-((3-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2), 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
| Molecular Formula | C30H27ClN6Na2O10S2 |
|---|---|
| Molecular Weight | 776.07 g/mol |
| LogP | -2.47344 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 776.0714 |
| Heavy Atoms | 51 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 70210-27-4 |
|---|---|
| SMILES | CCOCCOC1=NC(=NC(=N1)NC2=C(C(=C(C(=C2C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])C)S(=O)(=O)[O-])C)Cl.[Na+].[Na+] |
| InChIKey | ALOIVEFCEAUYNJ-UHFFFAOYSA-L |
Product Overview
RefChem:85447 (CAS 70210-27-4), with molecular formula C30H27ClN6Na2O10S2 and molecular weight 776.07 g/mol. IUPAC: disodium;1-amino-4-[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:85447
Property Insights of RefChem:85447
The XLogP value of -2.47344 indicates that RefChem:85447 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 273.0 Ų indicates high polarity, suggesting RefChem:85447 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:85447 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:85447?
The CAS number of RefChem:85447 is 70210-27-4.
What is the molecular formula of RefChem:85447?
The molecular formula of RefChem:85447 is C30H27ClN6Na2O10S2.
What is the molecular weight of RefChem:85447?
The molecular weight of RefChem:85447 is 776.07 g/mol.
Where can I buy RefChem:85447?
You can request a quote for RefChem:85447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:85447?
Yes, KEHONG BIO provides custom synthesis services for RefChem:85447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.