RefChem:578090
TL;DR: RefChem:578090 (CAS 71839-76-4) is a chemical compound with molecular formula C41H42CoN9O10S2 and molecular weight 943.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(8-acetamido-1-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate);cobalt(3+);hydron;propan-2-amine
Also Known As: Cobaltate(1-), bis(N-(7-(hydroxy-kappaO)-8-(2-(2-(hydroxy-kappaO)-5-((methylamino)sulfonyl)phenyl)diazenyl-kappaN1)-1-naphthalenyl)acetamidato(2-))-, hydrogen, compd. with 2-propanamine (1:1:1), Cobaltate(1-), bis(N-(7-hydroxy-8-((2-hydroxy-5-((methylamino)sulfonyl)phenyl)azo)-1-naphthalenyl)acetamidato(2-))-, hydrogen, compd. with 2-propanamine (1:1), Cobaltate(1-), bis[N-[7-hydroxy-8-[[2-hydroxy-5-[(methylamino)sulfonyl]phenyl]azo]-1-naphthalenyl]acetamidato(2-)]-, hydrogen, compd. with 2-propanamine (1:1), 8-acetamido-1-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate; cobalt(3+); hydron; propan-2-amine, Cobaltate(1-), bis[N-[7-(hydroxy-.kappa.O)-8-[2-[2-(hydroxy-.kappa.O)-5-[(methylamino)sulfonyl]phenyl]diazenyl-.kappa.N1]-1-naphthalenyl]acetamidato(2-)]-, hydrogen, compd. with 2-propanamine (1:1:1)
| Molecular Formula | C41H42CoN9O10S2 |
|---|---|
| Molecular Weight | 943.18 g/mol |
| LogP | 5.0013 |
| Topological Polar Surface Area | 335.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 943.1828 |
| Heavy Atoms | 63 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 71839-76-4 |
|---|---|
| SMILES | [H+].CC(C)N.CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-].CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-].[Co+3] |
| InChIKey | SPKUHHFPSYAEQS-UHFFFAOYSA-K |
Product Overview
RefChem:578090 (CAS 71839-76-4), with molecular formula C41H42CoN9O10S2 and molecular weight 943.18 g/mol. IUPAC: bis(8-acetamido-1-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate);cobalt(3+);hydron;propan-2-amine.
Chemical Property Profile of RefChem:578090
Property Insights of RefChem:578090
The XLogP value of 5.0013 indicates that RefChem:578090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 335.0 Ų indicates high polarity, suggesting RefChem:578090 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:578090 has 6 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 RefChem:578090?
The CAS number of RefChem:578090 is 71839-76-4.
What is the molecular formula of RefChem:578090?
The molecular formula of RefChem:578090 is C41H42CoN9O10S2.
What is the molecular weight of RefChem:578090?
The molecular weight of RefChem:578090 is 943.18 g/mol.
Where can I buy RefChem:578090?
You can request a quote for RefChem:578090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:578090?
Yes, KEHONG BIO provides custom synthesis services for RefChem:578090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.