Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate
TL;DR: Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate (CAS 102582-92-3) is a chemical compound with molecular formula C14H22FNO7S and molecular weight 367.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;2-(4-fluorophenyl)sulfonylacetic acid
Also Known As: FPS-THEA, Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate, (p-Fluorophenylsulfonyl)acetic acid triethanolamine, 4-fluorophenylsulfonylacetic acid tris(2-hydroxyethylammonium), 2-(4-fluorophenyl)sulfonylacetate,tris(2-hydroxyethyl)azanium
| Molecular Formula | C14H22FNO7S |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | -1.0507 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 367.1101 |
| Heavy Atoms | 24 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 102582-92-3 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)CC(=O)O.C(CO)N(CCO)CCO |
| InChIKey | WTTBAZUHLKDGJP-UHFFFAOYSA-N |
Product Overview
Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate (CAS 102582-92-3), with molecular formula C14H22FNO7S and molecular weight 367.11 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-(4-fluorophenyl)sulfonylacetic acid.
Chemical Property Profile of Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate
Property Insights of Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate
The XLogP value of -1.0507 indicates that Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate?
The CAS number of Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate is 102582-92-3.
What is the molecular formula of Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate?
The molecular formula of Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate is C14H22FNO7S.
What is the molecular weight of Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate?
The molecular weight of Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate is 367.11 g/mol.
Where can I buy Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate?
You can request a quote for Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate?
Yes, KEHONG BIO provides custom synthesis services for Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.