RefChem:800458
TL;DR: RefChem:800458 (CAS 67893-11-2) is a chemical compound with molecular formula C40H26MgN4O8S2 and molecular weight 778.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
magnesium bis(3-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate)
Also Known As: 2-((2-Hydroxy-1-napthalenyl)azo)-1-naphthalenesulfonic acid, magnesium salt (2:1), Dihydrogen bis(2-((2-hydroxy-1-naphthyl)azo)naphthalene-1-sulphonato(2-))magnesate(2-), Dihydrogen bis[2-[(2-hydroxy-1-naphthyl)azo]naphthalene-1-sulfonato(2-)]magnesate(2-), Magnesate(2-), bis(2-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-1-naphthalenesulfonato(2-)-kappaO)-, dihydrogen, Magnesate(2-), bis(2-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-1-naphthalenesulfonato(2-)-kappaO)-, hydrogen (1:2)
| Molecular Formula | C40H26MgN4O8S2 |
|---|---|
| Molecular Weight | 778.10 g/mol |
| LogP | 9.66 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 778.10425 |
| Heavy Atoms | 55 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 67893-11-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=CC=CC=C4C=C3S(=O)(=O)[O-])O.C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=CC=CC=C4C=C3S(=O)(=O)[O-])O.[Mg+2] |
| InChIKey | KSSFIVXPUZQIPN-UHFFFAOYSA-L |
Product Overview
RefChem:800458 (CAS 67893-11-2), with molecular formula C40H26MgN4O8S2 and molecular weight 778.10 g/mol. IUPAC: magnesium bis(3-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate).
Chemical Property Profile of RefChem:800458
Property Insights of RefChem:800458
The XLogP value of 9.66 indicates that RefChem:800458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting RefChem:800458 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:800458 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:800458?
The CAS number of RefChem:800458 is 67893-11-2.
What is the molecular formula of RefChem:800458?
The molecular formula of RefChem:800458 is C40H26MgN4O8S2.
What is the molecular weight of RefChem:800458?
The molecular weight of RefChem:800458 is 778.10 g/mol.
Where can I buy RefChem:800458?
You can request a quote for RefChem:800458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:800458?
Yes, KEHONG BIO provides custom synthesis services for RefChem:800458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.