RefChem:117857
TL;DR: RefChem:117857 (CAS 62609-87-4) is a chemical compound with molecular formula C20H11Na3O10S2 and molecular weight 543.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-hydroxy-5-[1-(4-oxido-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 3,3'-(3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-, trisodium salt, trisodium 2-hydroxy-5-[1-(4-oxido-3-sulfonatophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzenesulfonate, Benzenesulfonic acid, 3,3'-(3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-, sodium salt (1:3), Benzenesulfonic acid, 3,3'-(3-oxo-1(3H)-isobenzofuranylidene)bis[6-hydroxy-, sodium salt (1:3), Benzenesulfonic acid, 3,3'-(3-oxo-1(3H)-isobenzofuranylidene)bis[6-hydroxy-, trisodium salt
| Molecular Formula | C20H11Na3O10S2 |
|---|---|
| Molecular Weight | 543.95 g/mol |
| LogP | -8.25 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 543.94867 |
| Heavy Atoms | 35 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 62609-87-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)S(=O)(=O)[O-])C4=CC(=C(C=C4)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | BLWPFMRCWCZECF-UHFFFAOYSA-K |
Product Overview
RefChem:117857 (CAS 62609-87-4), with molecular formula C20H11Na3O10S2 and molecular weight 543.95 g/mol. IUPAC: trisodium;2-hydroxy-5-[1-(4-oxido-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate.
Chemical Property Profile of RefChem:117857
Property Insights of RefChem:117857
The XLogP value of -8.25 indicates that RefChem:117857 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 201.0 Ų indicates high polarity, suggesting RefChem:117857 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117857 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117857?
The CAS number of RefChem:117857 is 62609-87-4.
What is the molecular formula of RefChem:117857?
The molecular formula of RefChem:117857 is C20H11Na3O10S2.
What is the molecular weight of RefChem:117857?
The molecular weight of RefChem:117857 is 543.95 g/mol.
Where can I buy RefChem:117857?
You can request a quote for RefChem:117857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117857?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.