RefChem:580024
TL;DR: RefChem:580024 (CAS 72869-84-2) is a chemical compound with molecular formula C41H16Cu2N6Na8O31S8 and molecular weight 1653.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicopper;octasodium;5-hydroxy-4-[[6-[[6-[(8-hydroxy-2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]-5-oxido-4,8-disulfonatonaphthalen-2-yl]carbamoylamino]-1-oxido-4,8-disulfonatonaphthalen-2-yl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate
Also Known As: Cuprate(8-), (mu-((3,3'-(carbonyldiimino)bis(7-((2,8-dihydroxy-3,6-disulfo-1-naphthalenyl)azo)-8-hydroxy-1,5-naphthalenedisulfonato))(12-)))di-, octasodium, 7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((2,8-dihydroxy-3,6-disulfonaphthyl-1)azo)-1,5-naphthalenedisulfonic acid), copper complex, octasodium salt, Cuprate(8-), (mu-((3,3'-(carbonyldiimino)bis(8-(hydroxy-kappaO)-7-((2-(hydroxy-kappaO)-8-hydroxy-3,6-disulfo-1-naphthalenyl)azo-kappaN1)-1,5-naphthalenedisulfonato))(12-)))di-, octasodium, Cuprate(8-), (mu-((3,3'-(carbonyldiimino)bis(8-(hydroxy-kappaO)-7-(2-(2-(hydroxy-kappaO)-8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl-kappaN1)-1,5-naphthalenedisulfonato))(12-)))di-, sodium (1:8), Cuprate(8-), [mu-[[3,3'-(carbonyldiimino)bis[8-(hydroxy-kappaO)-7-[2-[2-(hydroxy-kappaO)-8-hydroxy-3,6-disulfo-1-naphthalenyl]diazenyl-kappaN1]-1,5-naphthalenedisulfonato]](12-)]]di-, sodium (1:8)
| Molecular Formula | C41H16Cu2N6Na8O31S8 |
|---|---|
| Molecular Weight | 1653.54 g/mol |
| LogP | -24.2604 |
| Topological Polar Surface Area | 748.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 6 |
| Exact Mass | 1653.5399 |
| Heavy Atoms | 96 |
| Complexity | 3220.0 |
Chemical Identifiers
| CAS Number | 72869-84-2 |
|---|---|
| SMILES | C1=C2C=C(C(=C(C2=C(C=C1S(=O)(=O)[O-])O)N=NC3=CC(=C4C=C(C=C(C4=C3[O-])S(=O)(=O)[O-])NC(=O)NC5=CC6=C(C=C(C(=C6C(=C5)S(=O)(=O)[O-])[O-])N=NC7=C(C(=CC8=CC(=CC(=C87)O)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2] |
| InChIKey | VMHIGETWZMWZMU-UHFFFAOYSA-B |
Product Overview
RefChem:580024 (CAS 72869-84-2), with molecular formula C41H16Cu2N6Na8O31S8 and molecular weight 1653.54 g/mol. IUPAC: dicopper;octasodium;5-hydroxy-4-[[6-[[6-[(8-hydroxy-2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]-5-oxido-4,8-disulfonatonaphthalen-2-yl]carbamoylamino]-1-oxido-4,8-disulfonatonaphthalen-2-yl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:580024
Property Insights of RefChem:580024
The XLogP value of -24.2604 indicates that RefChem:580024 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 748.0 Ų indicates high polarity, suggesting RefChem:580024 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:580024 has 4 hydrogen bond donor(s) and 35 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:580024?
The CAS number of RefChem:580024 is 72869-84-2.
What is the molecular formula of RefChem:580024?
The molecular formula of RefChem:580024 is C41H16Cu2N6Na8O31S8.
What is the molecular weight of RefChem:580024?
The molecular weight of RefChem:580024 is 1653.54 g/mol.
Where can I buy RefChem:580024?
You can request a quote for RefChem:580024 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:580024?
Yes, KEHONG BIO provides custom synthesis services for RefChem:580024 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.