RefChem:579596
TL;DR: RefChem:579596 (CAS 57036-53-0) is a chemical compound with molecular formula C31H22CuN8O8S and molecular weight 729.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;3-[[3-[[4-[[4-[(2-amino-4-hydroxyphenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-4-hydroxy-2-oxidophenyl]diazenyl]-4-oxidobenzenesulfonate;hydron
Also Known As: Cuprate(1-), (3-((3-((4-(((4-((2-amino-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2-(hydroxy-kappaO)-4-hydroxyphenyl)azo-kappaN1)-4-(hydroxy-kappaO)benzenesulfonato(3-))-, hydrogen, Cuprate(1-), (3-(2-(3-(2-(4-(((4-(2-(2-amino-4-hydroxyphenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2-(hydroxy-kappaO)-4-hydroxyphenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)benzenesulfonato(3-))-, hydrogen (1:1), Cuprate(1-), [3-[2-[3-[2-[4-[[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-(hydroxy-.kappa.O)-4-hydroxyphenyl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)benzenesulfonato(3-)]-, hydrogen (1:1), Copper, (3-((3-((4-(((4-((2-amino-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonato(2-))-, Cuprate(1-), [3-[[3-[[4-[[[4-[(2-amino-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxybenzenesulfonato(3-)]-, hydrogen
| Molecular Formula | C31H22CuN8O8S |
|---|---|
| Molecular Weight | 729.06 g/mol |
| LogP | 6.34 |
| Topological Polar Surface Area | 281.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 729.05774 |
| Heavy Atoms | 49 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 57036-53-0 |
|---|---|
| SMILES | [H+].C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)O)N)N=NC4=C(C=CC(=C4[O-])N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])O.[Cu+2] |
| InChIKey | AAZBDVXFHDCBDC-UHFFFAOYSA-L |
Product Overview
RefChem:579596 (CAS 57036-53-0), with molecular formula C31H22CuN8O8S and molecular weight 729.06 g/mol. IUPAC: copper;3-[[3-[[4-[[4-[(2-amino-4-hydroxyphenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-4-hydroxy-2-oxidophenyl]diazenyl]-4-oxidobenzenesulfonate;hydron.
Chemical Property Profile of RefChem:579596
Property Insights of RefChem:579596
The XLogP value of 6.34 indicates that RefChem:579596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 281.0 Ų indicates high polarity, suggesting RefChem:579596 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579596 has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579596?
The CAS number of RefChem:579596 is 57036-53-0.
What is the molecular formula of RefChem:579596?
The molecular formula of RefChem:579596 is C31H22CuN8O8S.
What is the molecular weight of RefChem:579596?
The molecular weight of RefChem:579596 is 729.06 g/mol.
Where can I buy RefChem:579596?
You can request a quote for RefChem:579596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579596?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.