Phthalexon-S
TL;DR: Phthalexon-S (CAS 34958-53-7) is a chemical compound with molecular formula C29H24N2Na4O13S and molecular weight 732.06 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-hydroxyphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxyphenyl]methyl-(carboxylatomethyl)amino]acetate
Also Known As: Phthalexon-S, Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-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-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt, Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-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-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, tetrasodium salt
| Molecular Formula | C29H24N2Na4O13S |
|---|---|
| Molecular Weight | 732.06 g/mol |
| LogP | -16.27 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 732.05896 |
| Heavy Atoms | 49 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 34958-53-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)CN(CC(=O)[O-])CC(=O)[O-])C4=CC(=C(C=C4)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | ZFXITVPOERYMAX-UHFFFAOYSA-J |
Product Overview
Phthalexon-S (CAS 34958-53-7), with molecular formula C29H24N2Na4O13S and molecular weight 732.06 g/mol. IUPAC: tetrasodium;2-[[5-[3-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxyphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxyphenyl]methyl-(carboxylatomethyl)amino]acetate.
Chemical Property Profile of Phthalexon-S
Property Insights of Phthalexon-S
The XLogP value of -16.27 indicates that Phthalexon-S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting Phthalexon-S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phthalexon-S 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 Phthalexon-S?
The CAS number of Phthalexon-S is 34958-53-7.
What is the molecular formula of Phthalexon-S?
The molecular formula of Phthalexon-S is C29H24N2Na4O13S.
What is the molecular weight of Phthalexon-S?
The molecular weight of Phthalexon-S is 732.06 g/mol.
Where can I buy Phthalexon-S?
You can request a quote for Phthalexon-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalexon-S?
Yes, KEHONG BIO provides custom synthesis services for Phthalexon-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.