RefChem:579998
TL;DR: RefChem:579998 (CAS 68133-81-3) is a chemical compound with molecular formula C33H19ClCuN9Na5O17S5 and molecular weight 1185.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;pentasodium;2-[[4-chloro-6-(2-methyl-5-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-6-[[4-[(2,5-disulfonatophenyl)diazenyl]-5-methyl-2-oxidophenyl]diazenyl]-5-oxidonaphthalene-1,7-disulfonate
Also Known As: Cuprate(5-), (2-((4-chloro-6-((2-methyl-5-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-6-((4-((2,5-disulfophenyl)azo)-2-(hydroxy-kappaO)-5-methylphenyl)azo-kappaN1)-5-(hydroxy-kappaO)-1,7-naphthalenedisulfonato(7-))-, pentasodium, 6-((4-((2,5-Disulfophenyl)azo)-6-hydroxy-3-methyl-phenyl)azo)-2-((4-chloro-6-((2-methyl-5-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino-5-hydroxy-1,7-naphthalenedisulfonic acid, copper complex (1:1), Cuprate(5-), (2-(2-(4-chloro-6-((2-methyl-5-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-6-(2-(4-((2,5-disulfophenyl)diazenyl)-2-(hydroxy-kappaO)-5-methylphenyl)diazenyl-kappaN1)-5-(hydroxy-kappaO)-1,7-naphthalenedisulfonato(7-))-, sodium (1:5), Cuprate(5-), [2-[[4-chloro-6-[(2-methyl-5-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-6-[[4-[(2,5-disulfophenyl)azo]-2-(hydroxy-.kappa.O)-5-methylphenyl]azo-.kappa.N1]-5-(hydroxy-.kappa.O)-1,7-naphthalenedisulfonato(7-)]-, pentasodium, copper pentasodium 2-[[4-chloro-6-(2-methyl-5-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-6-[[4-[(2,5-disulfonatophenyl)diazenyl]-5-methyl-2-oxidophenyl]diazenyl]-5-oxidonaphthalene-1,7-disulfonate
| Molecular Formula | C33H19ClCuN9Na5O17S5 |
|---|---|
| Molecular Weight | 1185.80 g/mol |
| LogP | -11.70176 |
| Topological Polar Surface Area | 486.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 8 |
| Exact Mass | 1185.7975 |
| Heavy Atoms | 71 |
| Complexity | 2240.0 |
Chemical Identifiers
| CAS Number | 68133-81-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)NC3=C(C4=CC(=C(C(=C4C=C3)[O-])N=NC5=C(C=C(C(=C5)C)N=NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Cu+2] |
| InChIKey | YZGNUTDCYXAXTG-UHFFFAOYSA-G |
Product Overview
RefChem:579998 (CAS 68133-81-3), with molecular formula C33H19ClCuN9Na5O17S5 and molecular weight 1185.80 g/mol. IUPAC: copper;pentasodium;2-[[4-chloro-6-(2-methyl-5-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-6-[[4-[(2,5-disulfonatophenyl)diazenyl]-5-methyl-2-oxidophenyl]diazenyl]-5-oxidonaphthalene-1,7-disulfonate.
Chemical Property Profile of RefChem:579998
Property Insights of RefChem:579998
The XLogP value of -11.70176 indicates that RefChem:579998 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 486.0 Ų indicates high polarity, suggesting RefChem:579998 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579998 has 2 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579998?
The CAS number of RefChem:579998 is 68133-81-3.
What is the molecular formula of RefChem:579998?
The molecular formula of RefChem:579998 is C33H19ClCuN9Na5O17S5.
What is the molecular weight of RefChem:579998?
The molecular weight of RefChem:579998 is 1185.80 g/mol.
Where can I buy RefChem:579998?
You can request a quote for RefChem:579998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579998?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.