Einecs 266-904-4
TL;DR: Einecs 266-904-4 (CAS 67689-48-9) is a chemical compound with molecular formula C18H16CuN4O11S3 and molecular weight 622.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;hydron;3-[[3-methyl-5-oxido-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]pyrazol-4-yl]diazenyl]-4-oxidobenzenesulfonate
Also Known As: copper(2+) hydrogen 3-{(e)-[3-methyl-5-oxido-1-(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)-1h-pyrazol-4-yl]diazenyl}-4-oxidobenzenesulfonate(1:2:1), copper; hydron; 3-[[3-methyl-5-oxido-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]pyrazol-4-yl]diazenyl]-4-oxidobenzenesulfonate, Dihydrogen (3-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)-4-hydroxybenzenesulphonato(4-))cuprate(2-), EINECS 266-904-4
| Molecular Formula | C18H16CuN4O11S3 |
|---|---|
| Molecular Weight | 622.93 g/mol |
| LogP | 0.12 |
| Topological Polar Surface Area | 272.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 622.92737 |
| Heavy Atoms | 37 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 67689-48-9 |
|---|---|
| SMILES | [H+].[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Cu+2] |
| InChIKey | FICCSRSMPLOGFA-UHFFFAOYSA-L |
Product Overview
Einecs 266-904-4 (CAS 67689-48-9), with molecular formula C18H16CuN4O11S3 and molecular weight 622.93 g/mol. IUPAC: copper;hydron;3-[[3-methyl-5-oxido-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]pyrazol-4-yl]diazenyl]-4-oxidobenzenesulfonate.
Chemical Property Profile of Einecs 266-904-4
Property Insights of Einecs 266-904-4
The XLogP value of 0.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 266-904-4. The TPSA of 272.0 Ų indicates high polarity, suggesting Einecs 266-904-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 266-904-4 has 2 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 Einecs 266-904-4?
The CAS number of Einecs 266-904-4 is 67689-48-9.
What is the molecular formula of Einecs 266-904-4?
The molecular formula of Einecs 266-904-4 is C18H16CuN4O11S3.
What is the molecular weight of Einecs 266-904-4?
The molecular weight of Einecs 266-904-4 is 622.93 g/mol.
Where can I buy Einecs 266-904-4?
You can request a quote for Einecs 266-904-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 266-904-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 266-904-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.