RefChem:579816
TL;DR: RefChem:579816 (CAS 59534-76-8) is a chemical compound with molecular formula C23H12ClCuN8Na3O11S3 and molecular weight 838.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;trisodium;4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-oxido-4-sulfonatonaphthalen-1-yl]diazenyl]-5-oxidonaphthalene-1,3-disulfonate
Also Known As: Cuprate(3-), (4-amino-6-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl)azo-kappaN1)-5-(hydroxy-kappaO)-1,3-naphthalenedisulfonato(5-))-, trisodium, Cuprate(3-), (4-amino-6-(2-(6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl)diazenyl-kappaN1)-5-(hydroxy-kappaO)-1,3-naphthalenedisulfonato(5-))-, sodium (1:3), 4-Amino-6-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-5-hydroxy-1,3-naphthalenedisulfonic acid, trisodium salt, copper complex, copper(2+) sodium 4-amino-6-[(e)-{6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-oxido-4-sulfonatonaphthalen-1-yl}diazenyl]-5-oxidonaphthalene-1,3-disulfonate(1:3:1), Cuprate(3-), (4-amino-6-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-5-hydroxy-1,3-naphthalenedisulfonato(5-))-, trisodium
| Molecular Formula | C23H12ClCuN8Na3O11S3 |
|---|---|
| Molecular Weight | 838.85 g/mol |
| LogP | -7.9762 |
| Topological Polar Surface Area | 370.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 4 |
| Exact Mass | 838.8465 |
| Heavy Atoms | 50 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 59534-76-8 |
|---|---|
| SMILES | C1=CC2=C(C(=CC(=C2C=C1NC3=NC(=NC(=N3)N)Cl)S(=O)(=O)[O-])[O-])N=NC4=C(C5=C(C=C4)C(=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Cu+2] |
| InChIKey | DRDLDYZXCAXGFO-UHFFFAOYSA-I |
Product Overview
RefChem:579816 (CAS 59534-76-8), with molecular formula C23H12ClCuN8Na3O11S3 and molecular weight 838.85 g/mol. IUPAC: copper;trisodium;4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-oxido-4-sulfonatonaphthalen-1-yl]diazenyl]-5-oxidonaphthalene-1,3-disulfonate.
Chemical Property Profile of RefChem:579816
Property Insights of RefChem:579816
The XLogP value of -7.9762 indicates that RefChem:579816 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 370.0 Ų indicates high polarity, suggesting RefChem:579816 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579816 has 3 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579816?
The CAS number of RefChem:579816 is 59534-76-8.
What is the molecular formula of RefChem:579816?
The molecular formula of RefChem:579816 is C23H12ClCuN8Na3O11S3.
What is the molecular weight of RefChem:579816?
The molecular weight of RefChem:579816 is 838.85 g/mol.
Where can I buy RefChem:579816?
You can request a quote for RefChem:579816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.