RefChem:579850
TL;DR: RefChem:579850 (CAS 71002-22-7) is a chemical compound with molecular formula C25H12ClCuN7Na4O14S4 and molecular weight 951.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;tetrasodium;2-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate
Also Known As: Cuprate(4-), (2-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)-1,7-naphthalenedisulfonato(6-))-, tetrasodium, 2-((4-Chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((2-hydroxy-5-sulfophenyl)azo)-1,7-naphthalenedisulfonic acid, tetrasodium salt, copper complex, Cuprate(4-), (2-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-1,7-naphthalenedisulfonato(6-))-, sodium (1:4), Tetrasodium (2-((4-chloro-6-(4-sulphoanilino)-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((2-hydroxy-5-sulphophenyl)azo)naphthalene-1,7-disulphonato(6-))cuprate(4-), copper tetrasodium 2-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate
| Molecular Formula | C25H12ClCuN7Na4O14S4 |
|---|---|
| Molecular Weight | 951.79 g/mol |
| LogP | -10.6421 |
| Topological Polar Surface Area | 396.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 6 |
| Exact Mass | 951.79004 |
| Heavy Atoms | 56 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 71002-22-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=C(C4=CC(=C(C(=C4C=C3)[O-])N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2] |
| InChIKey | DRKGDVSROLMMNK-UHFFFAOYSA-H |
Product Overview
RefChem:579850 (CAS 71002-22-7), with molecular formula C25H12ClCuN7Na4O14S4 and molecular weight 951.79 g/mol. IUPAC: copper;tetrasodium;2-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate.
Chemical Property Profile of RefChem:579850
Property Insights of RefChem:579850
The XLogP value of -10.6421 indicates that RefChem:579850 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 396.0 Ų indicates high polarity, suggesting RefChem:579850 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579850 has 2 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579850?
The CAS number of RefChem:579850 is 71002-22-7.
What is the molecular formula of RefChem:579850?
The molecular formula of RefChem:579850 is C25H12ClCuN7Na4O14S4.
What is the molecular weight of RefChem:579850?
The molecular weight of RefChem:579850 is 951.79 g/mol.
Where can I buy RefChem:579850?
You can request a quote for RefChem:579850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579850?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.