Xylenol Orange tetrasodium
TL;DR: Xylenol Orange tetrasodium (CAS 3618-43-7) 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]-2,2-dioxo-1,2λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate
Also Known As: Xylenol Orange tetrasodium, Xylenol Orange tetrasodium salt, Xylenol orange, tetrasodium salt, tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-2,2-dioxo-1,2lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate, tetrasodium 2,2',2'',2'''-{(2,2-dioxido-3h-1,2-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-methylbenzene-3,1-diyl)methanediylnitrilo]}tetraacetate
| Molecular Formula | C31H28N2Na4O13S |
|---|---|
| Molecular Weight | 760.09 g/mol |
| LogP | -15.65 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 760.0903 |
| Heavy Atoms | 51 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 3618-43-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)CN(CC(=O)[O-])CC(=O)[O-])C2(C3=CC=CC=C3OS2(=O)=O)C4=CC(=C(C(=C4)C)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | FXYMNKLSOQONJB-UHFFFAOYSA-J |
Product Overview
Xylenol Orange tetrasodium (CAS 3618-43-7), 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]-2,2-dioxo-1,2λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate.
Chemical Property Profile of Xylenol Orange tetrasodium
Property Insights of Xylenol Orange tetrasodium
The XLogP value of -15.65 indicates that Xylenol Orange tetrasodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting Xylenol Orange tetrasodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xylenol Orange tetrasodium 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?
The CAS number of Xylenol Orange tetrasodium is 3618-43-7.
What is the molecular formula of Xylenol Orange tetrasodium?
The molecular formula of Xylenol Orange tetrasodium is C31H28N2Na4O13S.
What is the molecular weight of Xylenol Orange tetrasodium?
The molecular weight of Xylenol Orange tetrasodium is 760.09 g/mol.
Where can I buy Xylenol Orange tetrasodium?
You can request a quote for Xylenol Orange tetrasodium 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?
Yes, KEHONG BIO provides custom synthesis services for Xylenol Orange tetrasodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.