Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester
TL;DR: Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester (CAS 3312-89-8) is a chemical compound with molecular formula C22H25F3N2O4 and molecular weight 438.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
Also Known As: Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester, 4-(((3-(Trifluoromethyl)phenoxy)acetyl)amino)benzoic acid 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 4-({[3-(trifluoromethyl)phenoxy]acetyl}amino)benzoate, 2-(Diethylamino)ethyl 4-{2-[3-(trifluoromethyl)phenoxy]acetamido}benzoate, 2-diethylaminoethyl 4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
| Molecular Formula | C22H25F3N2O4 |
|---|---|
| Molecular Weight | 438.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 438.17664 |
| Heavy Atoms | 31 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 3312-89-8 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | JZUQGYNIZDBECD-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester (CAS 3312-89-8), with molecular formula C22H25F3N2O4 and molecular weight 438.18 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate.
Chemical Property Profile of Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester
Property Insights of Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester
The XLogP value of 4.3 indicates that Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester has 1 hydrogen bond donor(s) and 8 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, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester?
The CAS number of Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester is 3312-89-8.
What is the molecular formula of Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester?
The molecular formula of Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester is C22H25F3N2O4.
What is the molecular weight of Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester?
The molecular weight of Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester is 438.18 g/mol.
Where can I buy Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester?
You can request a quote for Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)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, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.