RefChem:579788
TL;DR: RefChem:579788 (CAS 66418-17-5) is a chemical compound with molecular formula C32H16Cu2N5Na3O13S3 and molecular weight 968.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicopper;trisodium;4-[[4-[4-[(6-amino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate
Also Known As: copper(2+) sodium 4-[(e)-{4'-[(e)-(6-amino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3,3'-dioxidobiphenyl-4-yl}diazenyl]-3-oxidonaphthalene-2,7-disulfonate(2:3:1), Cuprate(3-), (mu-(4-(2-(4'-(2-(6-amino-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, sodium (1:3), Cuprate(3-), [.mu.-[4-[[4'-[[6-amino-1-(hydroxy-.kappa.O)-3-sulfo-2-naphthalenyl]azo-.kappa.N1]-3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, trisodium, Dicopper trisodium4-[4-[4-(6-amino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl-3-oxidophenyl]-2-oxidophenyl]diazenyl-3-oxidonaphthalene-2,7-disulfonate, (Trihydrogen-2-hydroxy-1-((((6-amino-1-hydroxy-3-sulfo-2-naphthyl)azo)-3,3'-dihydroxy-4,4'-biphenylene)azo)-3,6-naphthalenedisulfonato-)dicopper trisodium salt
| Molecular Formula | C32H16Cu2N5Na3O13S3 |
|---|---|
| Molecular Weight | 968.82 g/mol |
| LogP | -5.91 |
| Topological Polar Surface Area | 364.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 5 |
| Exact Mass | 968.81915 |
| Heavy Atoms | 58 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 66418-17-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3[O-])N)S(=O)(=O)[O-])[O-])[O-])N=NC5=C6C=CC(=CC6=CC(=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2] |
| InChIKey | ISIJQZDXBUUBMQ-UHFFFAOYSA-G |
Product Overview
RefChem:579788 (CAS 66418-17-5), with molecular formula C32H16Cu2N5Na3O13S3 and molecular weight 968.82 g/mol. IUPAC: dicopper;trisodium;4-[[4-[4-[(6-amino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:579788
Property Insights of RefChem:579788
The XLogP value of -5.91 indicates that RefChem:579788 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 364.0 Ų indicates high polarity, suggesting RefChem:579788 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579788 has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579788?
The CAS number of RefChem:579788 is 66418-17-5.
What is the molecular formula of RefChem:579788?
The molecular formula of RefChem:579788 is C32H16Cu2N5Na3O13S3.
What is the molecular weight of RefChem:579788?
The molecular weight of RefChem:579788 is 968.82 g/mol.
Where can I buy RefChem:579788?
You can request a quote for RefChem:579788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579788?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.