Einecs 276-061-4
TL;DR: Einecs 276-061-4 (CAS 71839-74-2) is a chemical compound with molecular formula C41H48CoN11O8S2 and molecular weight 945.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cobalt(3+);hydron;bis(3-methyl-4-[[2-oxido-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-1-phenylpyrazol-5-olate);propan-2-amine
Also Known As: Cobaltate(1-), bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-N-(1-methylethyl)benzenesulfonamidato(2-))-, hydrogen, compd. with 2-propanamine (1:1), Cobaltate(1-), bis(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-N-(1-methylethyl)benzenesulfonamidato(2-))-, hydrogen, compd. with 2-propanamine (1:1:1), Cobaltate(1-), bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-N-(1-methylethyl)benzenesulfonamidato(2-)]-, hydrogen, compd. with 2-propanamine (1:1), cobalt(3+); hydron; 5-methyl-4-[[2-oxido-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-2-phenylpyrazol-3-olate; propan-2-amine, Cobaltate(1-), bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-N-(1-methylethyl)benzenesulfonamidato(2-)]-, hydrogen, compound with 2-propanamine (1:1)
| Molecular Formula | C41H48CoN11O8S2 |
|---|---|
| Molecular Weight | 945.25 g/mol |
| LogP | 5.32354 |
| Topological Polar Surface Area | 312.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 945.2461 |
| Heavy Atoms | 63 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 71839-74-2 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC(C)C)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC(C)C)[O-])[O-])C3=CC=CC=C3.CC(C)N.[Co+3] |
| InChIKey | VXDJPIVEPULFFA-UHFFFAOYSA-K |
Product Overview
Einecs 276-061-4 (CAS 71839-74-2), with molecular formula C41H48CoN11O8S2 and molecular weight 945.25 g/mol. IUPAC: cobalt(3+);hydron;bis(3-methyl-4-[[2-oxido-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-1-phenylpyrazol-5-olate);propan-2-amine.
Chemical Property Profile of Einecs 276-061-4
Property Insights of Einecs 276-061-4
The XLogP value of 5.32354 indicates that Einecs 276-061-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 312.0 Ų indicates high polarity, suggesting Einecs 276-061-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 276-061-4 has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 276-061-4?
The CAS number of Einecs 276-061-4 is 71839-74-2.
What is the molecular formula of Einecs 276-061-4?
The molecular formula of Einecs 276-061-4 is C41H48CoN11O8S2.
What is the molecular weight of Einecs 276-061-4?
The molecular weight of Einecs 276-061-4 is 945.25 g/mol.
Where can I buy Einecs 276-061-4?
You can request a quote for Einecs 276-061-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 276-061-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 276-061-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.