Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester
TL;DR: Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester (CAS 76874-97-0) is a chemical compound with molecular formula C18H18F3NO6 and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethoxy)ethyl 5-hydroxy-2-[4-hydroxy-3-(trifluoromethyl)anilino]benzoate
Also Known As: Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester, 2-(2-Hydroxyethoxy)ethyl 5-hydroxy-N-(4-hydroxy-3-trifluoromethylphenyl)anthranilat [German], 2-(2-Hydroxyethoxy)ethyl 5-hydroxy-N-(4-hydroxy-3-trifluoromethylphenyl)anthranilat, 2-(2-hydroxyethoxy)ethyl 5-hydroxy-2-[4-hydroxy-3-(trifluoromethyl)anilino]benzoate, 2-(2-hydroxyethoxy)ethyl 5-hydroxy-2-[[4-hydroxy-3-(trifluoromethyl)phenyl]amino]benzoate
| Molecular Formula | C18H18F3NO6 |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 3.0259 |
| Topological Polar Surface Area | 108.25 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.1086 |
| Heavy Atoms | 28 |
| Complexity | 825.4536 |
Chemical Identifiers
| CAS Number | 76874-97-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC2=C(C=C(C=C2)O)C(=O)OCCOCCO)C(F)(F)F)O |
Product Overview
Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester (CAS 76874-97-0), with molecular formula C18H18F3NO6 and molecular weight 401.11 g/mol. IUPAC: 2-(2-hydroxyethoxy)ethyl 5-hydroxy-2-[4-hydroxy-3-(trifluoromethyl)anilino]benzoate.
Chemical Property Profile of Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester
Property Insights of Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester
The XLogP value of 3.0259 indicates that Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester has 4 hydrogen bond donor(s) and 7 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 Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester?
The CAS number of Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester is 76874-97-0.
What is the molecular formula of Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester?
The molecular formula of Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester is C18H18F3NO6.
What is the molecular weight of Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester?
The molecular weight of Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester is 401.11 g/mol.
Where can I buy Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester?
You can request a quote for Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.