3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride
TL;DR: 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride (CAS 69838-63-7) is a chemical compound with molecular formula C25H26Cl3F3N4O2S and molecular weight 608.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate;dihydrochloride
Also Known As: 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride, 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate dihydrochloride, 2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl 2-{3-[(trifluoromethyl)sulfanyl]anilino}pyridine-3-carboxylate--hydrogen chloride (1/2), RefChem:282225
| Molecular Formula | C25H26Cl3F3N4O2S |
|---|---|
| Molecular Weight | 608.08 g/mol |
| LogP | 6.9131 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 608.0794 |
| Heavy Atoms | 38 |
| Complexity | 1198.265 |
Chemical Identifiers
| CAS Number | 69838-63-7 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=C(N=CC=C2)NC3=CC(=CC=C3)SC(F)(F)F)C4=CC(=CC=C4)Cl.Cl.Cl |
Product Overview
3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride (CAS 69838-63-7), with molecular formula C25H26Cl3F3N4O2S and molecular weight 608.08 g/mol. IUPAC: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate;dihydrochloride.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride
Property Insights of 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride
The XLogP value of 6.9131 indicates that 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-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 57.7 Ų, 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
The CAS number of 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride is 69838-63-7.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular formula of 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride is C25H26Cl3F3N4O2S.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular weight of 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride is 608.08 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
You can request a quote for 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-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 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.