Triethylene glycol flufenamate
TL;DR: Triethylene glycol flufenamate (CAS 35444-12-3) is a chemical compound with molecular formula C20H22F3NO5 and molecular weight 413.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
Also Known As: Triethylene glycol flufenamate, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate, 2-[2- ethoxy]ethyl2-[[3- phenyl]amino]benzoate, Benzoic acid,2-[[3-(trifluoromethyl)phenyl]amino]-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester, 2-(2-(2-Hydroxyethoxy)ethoxy)ethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate
| Molecular Formula | C20H22F3NO5 |
|---|---|
| Molecular Weight | 413.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 413.14502 |
| Heavy Atoms | 29 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 35444-12-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCCOCCOCCO)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | ZXGVSDYGFHPLNX-UHFFFAOYSA-N |
Product Overview
Triethylene glycol flufenamate (CAS 35444-12-3), with molecular formula C20H22F3NO5 and molecular weight 413.15 g/mol. IUPAC: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate.
Chemical Property Profile of Triethylene glycol flufenamate
Property Insights of Triethylene glycol flufenamate
The XLogP value of 4.6 indicates that Triethylene glycol flufenamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethylene glycol flufenamate. Following Lipinski's Rule of Five, Triethylene glycol flufenamate has 2 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 Triethylene glycol flufenamate?
The CAS number of Triethylene glycol flufenamate is 35444-12-3.
What is the molecular formula of Triethylene glycol flufenamate?
The molecular formula of Triethylene glycol flufenamate is C20H22F3NO5.
What is the molecular weight of Triethylene glycol flufenamate?
The molecular weight of Triethylene glycol flufenamate is 413.15 g/mol.
Where can I buy Triethylene glycol flufenamate?
You can request a quote for Triethylene glycol flufenamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylene glycol flufenamate?
Yes, KEHONG BIO provides custom synthesis services for Triethylene glycol flufenamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.