RefChem:579632
TL;DR: RefChem:579632 (CAS 68555-96-4) is a chemical compound with molecular formula C16H11CuN3O8S2 and molecular weight 499.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper 6-amino-2-[(2-oxido-5-sulfophenyl)diazenyl]-3-sulfonaphthalen-1-olate
Also Known As: Cuprate(2-), (7-amino-4-hydroxy-3-((2-hydroxy-5-sulfophenyl)azo)-2-naphthalenesulfonato(4-))-, dihydrogen, Cuprate(2-), (7-amino-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-2-naphthalenesulfonato(4-))-, hydrogen (1:2), copper(2+) 6-amino-2-[(e)-(2-oxido-5-sulfophenyl)diazenyl]-3-sulfonaphthalen-1-olate, Cuprate(2-), [7-amino-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]-2-naphthalenesulfonato(4-)]-, dihydrogen, copper 6-amino-2-[(2-oxido-5-sulfophenyl)diazenyl]-3-sulfonaphthalen-1-olate
| Molecular Formula | C16H11CuN3O8S2 |
|---|---|
| Molecular Weight | 499.93 g/mol |
| LogP | 1.48 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.92834 |
| Heavy Atoms | 30 |
| Complexity | 822.0 |
Chemical Identifiers
| CAS Number | 68555-96-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C(C=C2C=C1N)S(=O)(=O)O)N=NC3=C(C=CC(=C3)S(=O)(=O)O)[O-])[O-].[Cu+2] |
| InChIKey | FIEYIWKZXRWRMR-UHFFFAOYSA-L |
Product Overview
RefChem:579632 (CAS 68555-96-4), with molecular formula C16H11CuN3O8S2 and molecular weight 499.93 g/mol. IUPAC: copper 6-amino-2-[(2-oxido-5-sulfophenyl)diazenyl]-3-sulfonaphthalen-1-olate.
Chemical Property Profile of RefChem:579632
Property Insights of RefChem:579632
The XLogP value of 1.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:579632. The TPSA of 222.0 Ų indicates high polarity, suggesting RefChem:579632 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579632 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579632?
The CAS number of RefChem:579632 is 68555-96-4.
What is the molecular formula of RefChem:579632?
The molecular formula of RefChem:579632 is C16H11CuN3O8S2.
What is the molecular weight of RefChem:579632?
The molecular weight of RefChem:579632 is 499.93 g/mol.
Where can I buy RefChem:579632?
You can request a quote for RefChem:579632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579632?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.