Fluress
TL;DR: Fluress (CAS 42204-31-9) is a chemical compound with molecular formula C57H69Cl4N5Na4O18 and molecular weight 1343.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;2-(diethylamino)ethyl 4-amino-3-butoxybenzoate;1-ethenylpyrrolidin-2-one;3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate;1,1,1-trichloro-2-methylpropan-2-ol;hydrochloride
Also Known As: Fluress, Benoxinate mixture with chlorbutanol, ethylenediamine tetraacetic acid, sodium fluorescein and povidone, tetrasodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;2-(diethylamino)ethyl 4-amino-3-butoxybenzoate;1-ethenylpyrrolidin-2-one;3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate;1,1,1-trichloro-2-methylpropan-2-ol;hydrochloride, tetrasodium; 2-[carboxymethyl-[2-[carboxymethyl-(2-oxido-2-oxo-ethyl)amino]ethyl]amino]acetate; 2-diethylaminoethyl 4-amino-3-butoxy-benzoate; 3-oxospiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate; 1,1,1-trichloro-2-methyl-propan-2-ol; 1-vinylpyrrolidin-2-one; hydrochloride, C20-H12-O5.C17-H28-N2-O3.C10-H16-N2-O8.(C6-H9-N-O)x-.C4-H7-Cl3-O.Cl-H.4Na
| Molecular Formula | C57H69Cl4N5Na4O18 |
|---|---|
| Molecular Weight | 1343.30 g/mol |
| LogP | -8.0749 |
| Topological Polar Surface Area | 348.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 1343.2982 |
| Heavy Atoms | 88 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 42204-31-9 |
|---|---|
| SMILES | CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N.CC(C)(C(Cl)(Cl)Cl)O.C=CN1CCCC1=O.C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)[O-])OC5=C3C=CC(=C5)[O-].C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].Cl |
| InChIKey | NOPBAFOXKXYZHK-UHFFFAOYSA-J |
Product Overview
Fluress (CAS 42204-31-9), with molecular formula C57H69Cl4N5Na4O18 and molecular weight 1343.30 g/mol. IUPAC: tetrasodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;2-(diethylamino)ethyl 4-amino-3-butoxybenzoate;1-ethenylpyrrolidin-2-one;3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate;1,1,1-trichloro-2-methylpropan-2-ol;hydrochloride.
Chemical Property Profile of Fluress
Property Insights of Fluress
The XLogP value of -8.0749 indicates that Fluress is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 348.0 Ų indicates high polarity, suggesting Fluress may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fluress has 5 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fluress?
The CAS number of Fluress is 42204-31-9.
What is the molecular formula of Fluress?
The molecular formula of Fluress is C57H69Cl4N5Na4O18.
What is the molecular weight of Fluress?
The molecular weight of Fluress is 1343.30 g/mol.
Where can I buy Fluress?
You can request a quote for Fluress directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fluress?
Yes, KEHONG BIO provides custom synthesis services for Fluress and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.