Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride
TL;DR: Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride (CAS 69838-57-9) is a chemical compound with molecular formula C26H28Cl2F3N3O2 and molecular weight 541.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-phenylpiperazin-1-yl)ethyl 2-[3-(trifluoromethyl)anilino]benzoate;dihydrochloride
Also Known As: Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride, 2-(4-phenylpiperazin-1-yl)ethyl 2-[3-(trifluoromethyl)anilino]benzoate dihydrochloride, 2-(4-phenylpiperazin-1-yl)ethyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Dihydrochloride, 2-(4-Phenylpiperazin-1-yl)ethyl 2-[3-(trifluoromethyl)anilino]benzoate--hydrogen chloride (1/2), RefChem:326641
| Molecular Formula | C26H28Cl2F3N3O2 |
|---|---|
| Molecular Weight | 541.15 g/mol |
| LogP | 6.2716 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.15106 |
| Heavy Atoms | 36 |
| Complexity | 1108.8435 |
Chemical Identifiers
| CAS Number | 69838-57-9 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4.Cl.Cl |
Product Overview
Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride (CAS 69838-57-9), with molecular formula C26H28Cl2F3N3O2 and molecular weight 541.15 g/mol. IUPAC: 2-(4-phenylpiperazin-1-yl)ethyl 2-[3-(trifluoromethyl)anilino]benzoate;dihydrochloride.
Chemical Property Profile of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride
Property Insights of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride
The XLogP value of 6.2716 indicates that Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride?
The CAS number of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride is 69838-57-9.
What is the molecular formula of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular formula of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride is C26H28Cl2F3N3O2.
What is the molecular weight of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular weight of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride is 541.15 g/mol.
Where can I buy Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride?
You can request a quote for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.