Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride
TL;DR: Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride (CAS 69838-61-5) is a chemical compound with molecular formula C27H27Cl2F6N3O2S and molecular weight 641.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]benzoate;dihydrochloride
Also Known As: Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride, 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]benzoate dihydrochloride, 2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{3-[(trifluoromethyl)sulfanyl]anilino}benzoate--hydrogen chloride (1/2), RefChem:326632
| Molecular Formula | C27H27Cl2F6N3O2S |
|---|---|
| Molecular Weight | 641.11 g/mol |
| LogP | 7.8835 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 641.11053 |
| Heavy Atoms | 41 |
| Complexity | 1288.1465 |
Chemical Identifiers
| CAS Number | 69838-61-5 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=CC(=CC=C3)SC(F)(F)F)C4=CC=CC(=C4)C(F)(F)F.Cl.Cl |
Product Overview
Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride (CAS 69838-61-5), with molecular formula C27H27Cl2F6N3O2S and molecular weight 641.11 g/mol. IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]benzoate;dihydrochloride.
Chemical Property Profile of Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride
Property Insights of Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride
The XLogP value of 7.8835 indicates that Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)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)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)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)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride has 1 hydrogen bond donor(s) and 6 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)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
The CAS number of Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride is 69838-61-5.
What is the molecular formula of Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular formula of Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride is C27H27Cl2F6N3O2S.
What is the molecular weight of Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular weight of Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride is 641.11 g/mol.
Where can I buy Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
You can request a quote for Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)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)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.