RefChem:579986
TL;DR: RefChem:579986 (CAS 71735-54-1) is a chemical compound with molecular formula C42H24Cu3N8O18S4 and molecular weight 1244.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricopper;hydron;7-[[6-[[4-[4-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-1,5-dioxido-7-sulfonatonaphthalen-2-yl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate
Also Known As: Cuprate(4-), (mu3-(7-((6-((4'-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)azo-kappaN1)-1,5-di(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)azo-kappaN1)-8-(hydroxy-kappaO)-1,3,6-naphthalenetrisulfonato(10-)))tri-, tetrahydrogen, Cuprate(4-), (mu3-(7-(2-(6-(2-(4'-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-1,5-di(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)diazenyl-kappaN1)-8-(hydroxy-kappaO)-1,3,6-naphthalenetrisulfonato(10-)))tri-, hydrogen (1:4), Cuprate(4-), [.mu.3-[7-[[6-[[4'-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4-yl]azo-.kappa.N1]-1,5-di(hydroxy-.kappa.O)-7-sulfo-2-naphthalenyl]azo-.kappa.N1]-8-(hydroxy-.kappa.O)-1,3,6-naphthalenetrisulfonato(10-)]]tri-, tetrahydrogen, Cuprate(4-), (:3-(7-((6-((4'-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-1,5-dihydroxy-7-sulfo-2-naphthalenyl)azo)-8-hydroxy-1,3,6-naphthalenetrisulfonato(10-)))tri-, tetrahydrogen, Cuprate(4-), (mu3-(7-((6-((4'-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)azo-kappaN1)-1,5-di(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)azo-kappaN1)-8-(hydroxy-kappaO)-1,3,6-naphthal
| Molecular Formula | C42H24Cu3N8O18S4 |
|---|---|
| Molecular Weight | 1244.80 g/mol |
| LogP | 3.90632 |
| Topological Polar Surface Area | 484.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 8 |
| Exact Mass | 1244.798 |
| Heavy Atoms | 75 |
| Complexity | 2510.0 |
Chemical Identifiers
| CAS Number | 71735-54-1 |
|---|---|
| SMILES | [H+].[H+].[H+].[H+].CC1=NN(C(=O)[C-]1N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C=C5C(=C4[O-])C=CC(=C5[O-])N=NC6=C(C7=C(C=C(C=C7C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])[O-])[O-])C8=CC=CC=C8.[Cu+2].[Cu+2].[Cu+2] |
| InChIKey | QTIFPSUVFHSYCJ-UHFFFAOYSA-I |
Product Overview
RefChem:579986 (CAS 71735-54-1), with molecular formula C42H24Cu3N8O18S4 and molecular weight 1244.80 g/mol. IUPAC: tricopper;hydron;7-[[6-[[4-[4-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-1,5-dioxido-7-sulfonatonaphthalen-2-yl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate.
Chemical Property Profile of RefChem:579986
Property Insights of RefChem:579986
The XLogP value of 3.90632 indicates that RefChem:579986 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 484.0 Ų indicates high polarity, suggesting RefChem:579986 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579986 has 4 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:579986?
The CAS number of RefChem:579986 is 71735-54-1.
What is the molecular formula of RefChem:579986?
The molecular formula of RefChem:579986 is C42H24Cu3N8O18S4.
What is the molecular weight of RefChem:579986?
The molecular weight of RefChem:579986 is 1244.80 g/mol.
Where can I buy RefChem:579986?
You can request a quote for RefChem:579986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579986?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.