EINECS 269-444-2
TL;DR: EINECS 269-444-2 (CAS 68239-47-4) is a chemical compound with molecular formula C34H28CoN9O9S2 and molecular weight 829.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-acetamido-1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate;cobalt(3+);2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-sulfamoylphenolate
Also Known As: cobalt(3+) 8-(acetylamino)-1-[(e)-(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate 2-[(e)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1h-pyrazol-4-yl)diazenyl]-4-sulfamoylphenolate(1:1:1), Cobaltate(1-), (N-(8-((5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-7-(hydroxy-kappaO)-1-naphthalenyl)acetamidato(2-))(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamid, Cobaltate(1-), (N-(8-((5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-7-(hydroxy-kappaO)-1-naphthalenyl)acetamidato(2-))(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, hydrogen, Cobaltate(1-), (N-(8-((5-(aminosulfonyl)-2-hydroxyphenyl)azo)-7-hydroxy-1-naphthalenyl)acetamidato(2-))(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzenesulfonamidato(2-))-, hydrogen, Cobaltate(1-), (N-(8-(2-(5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-7-(hydroxy-kappaO)-1-naphthalenyl)acetamidato(2-))(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, hydrogen (1:1)
| Molecular Formula | C34H28CoN9O9S2 |
|---|---|
| Molecular Weight | 829.08 g/mol |
| LogP | 3.29 |
| Topological Polar Surface Area | 317.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 829.0783 |
| Heavy Atoms | 55 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 68239-47-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])C3=CC=CC=C3.CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].[Co+3] |
| InChIKey | GYYKAVHKTXLJDL-UHFFFAOYSA-K |
Product Overview
EINECS 269-444-2 (CAS 68239-47-4), with molecular formula C34H28CoN9O9S2 and molecular weight 829.08 g/mol. IUPAC: 8-acetamido-1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate;cobalt(3+);2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-sulfamoylphenolate.
Chemical Property Profile of EINECS 269-444-2
Property Insights of EINECS 269-444-2
The XLogP value of 3.29 indicates that EINECS 269-444-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 317.0 Ų indicates high polarity, suggesting EINECS 269-444-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 269-444-2 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 269-444-2?
The CAS number of EINECS 269-444-2 is 68239-47-4.
What is the molecular formula of EINECS 269-444-2?
The molecular formula of EINECS 269-444-2 is C34H28CoN9O9S2.
What is the molecular weight of EINECS 269-444-2?
The molecular weight of EINECS 269-444-2 is 829.08 g/mol.
Where can I buy EINECS 269-444-2?
You can request a quote for EINECS 269-444-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 269-444-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 269-444-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.