Xylenol Orange tetrasodium salt
TL;DR: Xylenol Orange tetrasodium salt (CAS 313223-06-2) is a chemical compound with molecular formula C31H28N2Na4O13S and molecular weight 760.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate
Also Known As: Xylenol Orange tetrasodium salt, Xylenol orange, OMNIPUR-EDM, Xylenol Orange tetrasodium, Xylenol Orange monosodium salt
| Molecular Formula | C31H28N2Na4O13S |
|---|---|
| Molecular Weight | 760.09 g/mol |
| LogP | -15.65496 |
| Topological Polar Surface Area | 250.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Exact Mass | 760.0903 |
| Heavy Atoms | 51 |
| Complexity | 1767.7292 |
Chemical Identifiers
| CAS Number | 313223-06-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)CN(CC(=O)[O-])CC(=O)[O-])C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
Product Overview
Xylenol Orange tetrasodium salt (CAS 313223-06-2), with molecular formula C31H28N2Na4O13S and molecular weight 760.09 g/mol. IUPAC: tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate.
Chemical Property Profile of Xylenol Orange tetrasodium salt
Property Insights of Xylenol Orange tetrasodium salt
The XLogP value of -15.65496 indicates that Xylenol Orange tetrasodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 250.83 Ų indicates high polarity, suggesting Xylenol Orange tetrasodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xylenol Orange tetrasodium salt has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xylenol Orange tetrasodium salt?
The CAS number of Xylenol Orange tetrasodium salt is 313223-06-2.
What is the molecular formula of Xylenol Orange tetrasodium salt?
The molecular formula of Xylenol Orange tetrasodium salt is C31H28N2Na4O13S.
What is the molecular weight of Xylenol Orange tetrasodium salt?
The molecular weight of Xylenol Orange tetrasodium salt is 760.09 g/mol.
Where can I buy Xylenol Orange tetrasodium salt?
You can request a quote for Xylenol Orange tetrasodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xylenol Orange tetrasodium salt?
Yes, KEHONG BIO provides custom synthesis services for Xylenol Orange tetrasodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.