RefChem:143849
TL;DR: RefChem:143849 (CAS 62698-59-3) 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-[5-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-4-methylphenyl]methyl-(carboxylatomethyl)amino]acetate
Also Known As: Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-4-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt, Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-4-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4), Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-4-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:4), Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-4-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, tetrasodium salt, tetrasodium 2,2',2'',2'''-{(1,1-dioxido-3h-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-4-methyl-3,1-phenylene)methylenenitrilo]}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 | 62698-59-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4C)O)CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-])O.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | CYEFGNIYEPRRPM-UHFFFAOYSA-J |
Product Overview
RefChem:143849 (CAS 62698-59-3), with molecular formula C31H28N2Na4O13S and molecular weight 760.09 g/mol. IUPAC: tetrasodium;2-[[5-[3-[5-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-4-methylphenyl]methyl-(carboxylatomethyl)amino]acetate.
Chemical Property Profile of RefChem:143849
Property Insights of RefChem:143849
The XLogP value of -15.65 indicates that RefChem:143849 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting RefChem:143849 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:143849 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 RefChem:143849?
The CAS number of RefChem:143849 is 62698-59-3.
What is the molecular formula of RefChem:143849?
The molecular formula of RefChem:143849 is C31H28N2Na4O13S.
What is the molecular weight of RefChem:143849?
The molecular weight of RefChem:143849 is 760.09 g/mol.
Where can I buy RefChem:143849?
You can request a quote for RefChem:143849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:143849?
Yes, KEHONG BIO provides custom synthesis services for RefChem:143849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.