RefChem:579976
TL;DR: RefChem:579976 (CAS 72139-11-8) is a chemical compound with molecular formula C30H10Cl3Cu2N7Na4O16S4 and molecular weight 1174.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicopper;tetrasodium;3-[[2,5-dioxido-6-[[2-oxido-5-sulfonato-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonatonaphthalen-1-yl]diazenyl]-4-oxidonaphthalene-1,7-disulfonate
Also Known As: Cuprate(4-), (mu-(3-(2-(2,5-di(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-5-sulfo-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)diazenyl-kappaN1)-8-sulfo-1-naphthalenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-1,7-naphthalenedisulfonato(8-)))di-, sodium (1:4), Cuprate(4-), [.mu.-[3-[[2,5-di(hydroxy-.kappa.O)-6-[[2-(hydroxy-.kappa.O)-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo-.kappa.N1]-8-sulfo-1-naphthalenyl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-1,7-naphthalenedisulfonato(8-)]]di-, tetrasodium, Cuprate(4-), (mu-(3-((2,5-di(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-5-sulfo-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo-kappaN1)-8-sulfo-1-naphthalenyl)azo-kappaN1)-4-(hydroxy-kappaO)-1,7-naphthalenedisulfonato(8-)))di-, tetrasodium, Cuprate(4-), [.mu.-[3-[[2,5-dihydroxy-6-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]-8-sulfo-1-naphthalenyl]azo]-4-hydroxy-1,7-naphthalenedisulfonato(8-)]]di-, tetrasodium, Cuprate(4-), [.mu.-[3-[2-[2,5-di(hydroxy-.kappa.O)-6-[2-[2-(hydroxy-.kappa.O)-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]diazenyl-.kappa.N1]-8-sulfo-1-naphthalenyl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)-1,7-naphthalenedisulfonato(8-)]]di-, sodium (1:4)
| Molecular Formula | C30H10Cl3Cu2N7Na4O16S4 |
|---|---|
| Molecular Weight | 1174.63 g/mol |
| LogP | -8.7606 |
| Topological Polar Surface Area | 442.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 6 |
| Exact Mass | 1174.6315 |
| Heavy Atoms | 66 |
| Complexity | 2010.0 |
Chemical Identifiers
| CAS Number | 72139-11-8 |
|---|---|
| SMILES | C1=CC2=C(C(=CC(=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC3=C(C=CC4=C(C(=CC(=C43)S(=O)(=O)[O-])N=NC5=CC(=CC(=C5[O-])NC6=C(C(=NC(=N6)Cl)Cl)Cl)S(=O)(=O)[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2] |
| InChIKey | IGZJAKXGSLDVSN-UHFFFAOYSA-F |
Product Overview
RefChem:579976 (CAS 72139-11-8), with molecular formula C30H10Cl3Cu2N7Na4O16S4 and molecular weight 1174.63 g/mol. IUPAC: dicopper;tetrasodium;3-[[2,5-dioxido-6-[[2-oxido-5-sulfonato-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonatonaphthalen-1-yl]diazenyl]-4-oxidonaphthalene-1,7-disulfonate.
Chemical Property Profile of RefChem:579976
Property Insights of RefChem:579976
The XLogP value of -8.7606 indicates that RefChem:579976 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 442.0 Ų indicates high polarity, suggesting RefChem:579976 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579976 has 1 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579976?
The CAS number of RefChem:579976 is 72139-11-8.
What is the molecular formula of RefChem:579976?
The molecular formula of RefChem:579976 is C30H10Cl3Cu2N7Na4O16S4.
What is the molecular weight of RefChem:579976?
The molecular weight of RefChem:579976 is 1174.63 g/mol.
Where can I buy RefChem:579976?
You can request a quote for RefChem:579976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579976?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.