RefChem:579631
TL;DR: RefChem:579631 (CAS 68039-60-1) is a chemical compound with molecular formula C18H15CuN3O11S3 and molecular weight 607.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;7-amino-4-oxido-3-[[2-oxido-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;hydron
Also Known As: Cuprate(2-), (7-amino-4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-2-naphthalenesulfonato(4-))-, dihydrogen, Cuprate(2-), (7-amino-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-2-naphthalenesulfonato(4-))-, hydrogen (1:2), copper(2+) hydrogen 7-amino-4-oxido-3-[(e)-(2-oxido-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonate(1:2:1), copper; 7-amino-4-oxido-3-[[2-oxido-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate; hydron, Cuprate(2-), [7-amino-4-(hydroxy-.kappa.O)-3-[[2-(hydroxy-.kappa.O)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo-.kappa.N1]-2-naphthalenesulfonato(4-)]-, dihydrogen
| Molecular Formula | C18H15CuN3O11S3 |
|---|---|
| Molecular Weight | 607.92 g/mol |
| LogP | 0.36 |
| Topological Polar Surface Area | 280.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 607.91644 |
| Heavy Atoms | 36 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 68039-60-1 |
|---|---|
| SMILES | [H+].[H+].C1=CC2=C(C(=C(C=C2C=C1N)S(=O)(=O)[O-])N=NC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])[O-])[O-].[Cu+2] |
| InChIKey | VYSJDRDKBLQZQO-UHFFFAOYSA-L |
Product Overview
RefChem:579631 (CAS 68039-60-1), with molecular formula C18H15CuN3O11S3 and molecular weight 607.92 g/mol. IUPAC: copper;7-amino-4-oxido-3-[[2-oxido-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;hydron.
Chemical Property Profile of RefChem:579631
Property Insights of RefChem:579631
The XLogP value of 0.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:579631. The TPSA of 280.0 Ų indicates high polarity, suggesting RefChem:579631 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579631 has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579631?
The CAS number of RefChem:579631 is 68039-60-1.
What is the molecular formula of RefChem:579631?
The molecular formula of RefChem:579631 is C18H15CuN3O11S3.
What is the molecular weight of RefChem:579631?
The molecular weight of RefChem:579631 is 607.92 g/mol.
Where can I buy RefChem:579631?
You can request a quote for RefChem:579631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579631?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.