RefChem:579896
TL;DR: RefChem:579896 (CAS 71735-64-3) is a chemical compound with molecular formula C27H15CuN7Na4O15S4 and molecular weight 959.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;tetrasodium;7-[[4-[[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfonatophenyl]diazenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate
Also Known As: Cuprate(4-), (8-(hydroxy-kappaO)-7-((2-(hydroxy-kappaO)-4-((2-methoxy-3-(4-pyrimidinylamino)-3-sulfophenyl)azo)phenyl)azo-kappaN1)-1,3,6-naphthalenetrisulfonato(6-))-, tetrasodium, Cuprate(4-), (8-(hydroxy-kappaO)-7-(2-(2-(hydroxy-kappaO)-4-(2-(2-methoxy-3-(4-pyrimidinylamino)-3-sulfophenyl)diazenyl)phenyl)diazenyl-kappaN1)-1,3,6-naphthalenetrisulfonato(6-))-, sodium (1:4), copper tetrasodium 7-[[4-[[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfonatophenyl]diazenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate, Cuprate(4-), [8-(hydroxy-.kappa.O)-7-[[2-(hydroxy-.kappa.O)-4-[[2-methoxy-3-(4-pyrimidinylamino)-3-sulfophenyl]azo]phenyl]azo-.kappa.N1]-1,3,6-naphthalenetrisulfonato(6-)]-, tetrasodium, Cuprate(4-), [8-(hydroxy-.kappa.O)-7-[2-[2-(hydroxy-.kappa.O)-4-[2-[2-methoxy-3-(4-pyrimidinylamino)-3-sulfophenyl]diazenyl]phenyl]diazenyl-.kappa.N1]-1,3,6-naphthalenetrisulfonato(6-)]-, sodium (1:4)
| Molecular Formula | C27H15CuN7Na4O15S4 |
|---|---|
| Molecular Weight | 959.84 g/mol |
| LogP | -10.0101 |
| Topological Polar Surface Area | 405.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 7 |
| Exact Mass | 959.8396 |
| Heavy Atoms | 58 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 71735-64-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1S(=O)(=O)[O-])NC2=NC=NC=C2)N=NC3=CC(=C(C=C3)N=NC4=C(C5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2] |
| InChIKey | NYEYSTLGYBLPNG-UHFFFAOYSA-H |
Product Overview
RefChem:579896 (CAS 71735-64-3), with molecular formula C27H15CuN7Na4O15S4 and molecular weight 959.84 g/mol. IUPAC: copper;tetrasodium;7-[[4-[[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfonatophenyl]diazenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate.
Chemical Property Profile of RefChem:579896
Property Insights of RefChem:579896
The XLogP value of -10.0101 indicates that RefChem:579896 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 405.0 Ų indicates high polarity, suggesting RefChem:579896 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579896 has 1 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579896?
The CAS number of RefChem:579896 is 71735-64-3.
What is the molecular formula of RefChem:579896?
The molecular formula of RefChem:579896 is C27H15CuN7Na4O15S4.
What is the molecular weight of RefChem:579896?
The molecular weight of RefChem:579896 is 959.84 g/mol.
Where can I buy RefChem:579896?
You can request a quote for RefChem:579896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579896?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.