RefChem:579945
TL;DR: RefChem:579945 (CAS 68140-36-3) is a chemical compound with molecular formula C32H15Cu2N5Na4O16S4 and molecular weight 1070.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicopper;tetrasodium;5-amino-4-oxido-3-[[2-oxido-4-[3-oxido-4-[(1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: Cuprate(4-), (mu-(5-amino-3-((3,3'-di(hydroxy-kappaO)-4'-((2-(hydroxy-kappaO)-3,6-disulfo-1-naphthalenyl)azo-kappaN1)(1,1'-biphenyl)-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium, Cuprate(4-), (mu-(5-amino-3-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(2-(hydroxy-kappaO)-3,6-disulfo-1-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(8-)))di-, sodium (1:4), Cuprate(4-), (mu-(5-amino-3-((3,3'-dihydroxy-4'-((2-hydroxy-3,6-disulfo-1-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium, Cuprate(4-), [.mu.-[5-amino-3-[[3,3'-di(hydroxy-.kappa.O)-4'-[[2-(hydroxy-.kappa.O)-3,6-disulfo-1-naphthalenyl]azo-.kappa.N1][1,1'-biphenyl]-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(8-)]]di-, tetrasodium, Cuprate(4-), [.mu.-[5-amino-3-[[3,3'-dihydroxy-4'-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-2,7-naphthalenedisulfonato(8-)]]di-, tetrasodium
| Molecular Formula | C32H15Cu2N5Na4O16S4 |
|---|---|
| Molecular Weight | 1070.76 g/mol |
| LogP | -10.0052 |
| Topological Polar Surface Area | 430.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 5 |
| Exact Mass | 1070.7579 |
| Heavy Atoms | 63 |
| Complexity | 1900.0 |
Chemical Identifiers
| CAS Number | 68140-36-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2] |
| InChIKey | MNLOKEGETWMGOL-UHFFFAOYSA-F |
Product Overview
RefChem:579945 (CAS 68140-36-3), with molecular formula C32H15Cu2N5Na4O16S4 and molecular weight 1070.76 g/mol. IUPAC: dicopper;tetrasodium;5-amino-4-oxido-3-[[2-oxido-4-[3-oxido-4-[(1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:579945
Property Insights of RefChem:579945
The XLogP value of -10.0052 indicates that RefChem:579945 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 430.0 Ų indicates high polarity, suggesting RefChem:579945 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579945 has 1 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:579945?
The CAS number of RefChem:579945 is 68140-36-3.
What is the molecular formula of RefChem:579945?
The molecular formula of RefChem:579945 is C32H15Cu2N5Na4O16S4.
What is the molecular weight of RefChem:579945?
The molecular weight of RefChem:579945 is 1070.76 g/mol.
Where can I buy RefChem:579945?
You can request a quote for RefChem:579945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579945?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.