RefChem:579880
TL;DR: RefChem:579880 (CAS 68992-20-1) is a chemical compound with molecular formula C30H16ClCuN7Na4O14S4 and molecular weight 1015.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;tetrasodium;5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(1-oxido-4,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: Cuprate(4-), (3-((8-((4-chloro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)-1-(hydroxy-kappaO)-3,6-disulfo-2-naphthalenyl)azo-kappaN1)-4-(hydroxy-kappaO)-1,5-naphthalenedisulfonato(6-))-, tetrasodium, Cuprate(4-), (3-(2-(8-((4-chloro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)-1-(hydroxy-kappaO)-3,6-disulfo-2-naphthalenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-1,5-naphthalenedisulfonato(6-))-, sodium (1:4), copper tetrasodium 5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(1-oxido-4,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate, Cuprate(4-), [3-[[8-[[4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-1-(hydroxy-.kappa.O)-3,6-disulfo-2-naphthalenyl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-1,5-naphthalenedisulfonato(6-)]-, tetrasodium, Cuprate(4-), [3-[[8-[[4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-4-hydroxy-1,5-naphthalenedisulfonato(6-)]-, tetrasodium
| Molecular Formula | C30H16ClCuN7Na4O14S4 |
|---|---|
| Molecular Weight | 1015.82 g/mol |
| LogP | -9.18048 |
| Topological Polar Surface Area | 396.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 6 |
| Exact Mass | 1015.82135 |
| Heavy Atoms | 61 |
| Complexity | 1820.0 |
Chemical Identifiers
| CAS Number | 68992-20-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4[O-])N=NC5=CC(=C6C=CC=C(C6=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2] |
| InChIKey | FQSREJXRKLAOIQ-UHFFFAOYSA-H |
Product Overview
RefChem:579880 (CAS 68992-20-1), with molecular formula C30H16ClCuN7Na4O14S4 and molecular weight 1015.82 g/mol. IUPAC: copper;tetrasodium;5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(1-oxido-4,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:579880
Property Insights of RefChem:579880
The XLogP value of -9.18048 indicates that RefChem:579880 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:579880 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579880 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:579880?
The CAS number of RefChem:579880 is 68992-20-1.
What is the molecular formula of RefChem:579880?
The molecular formula of RefChem:579880 is C30H16ClCuN7Na4O14S4.
What is the molecular weight of RefChem:579880?
The molecular weight of RefChem:579880 is 1015.82 g/mol.
Where can I buy RefChem:579880?
You can request a quote for RefChem:579880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579880?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.