3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride
TL;DR: 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride (CAS 69838-64-8) is a chemical compound with molecular formula C26H28Cl3F3N4O2 and molecular weight 590.12 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-chloro-2-methylanilino)pyridine-3-carboxylate;dihydrochloride
Also Known As: 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride, 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate dihydrochloride, 2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate--hydrogen chloride (1/2), RefChem:282227
| Molecular Formula | C26H28Cl3F3N4O2 |
|---|---|
| Molecular Weight | 590.12 g/mol |
| LogP | 6.62842 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 590.123 |
| Heavy Atoms | 38 |
| Complexity | 1222.3379 |
Chemical Identifiers
| CAS Number | 69838-64-8 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)OCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F.Cl.Cl |
Product Overview
3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride (CAS 69838-64-8), with molecular formula C26H28Cl3F3N4O2 and molecular weight 590.12 g/mol. IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate;dihydrochloride.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride
Property Insights of 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride
The XLogP value of 6.62842 indicates that 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)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 57.7 Ų, 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)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, 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)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 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
The CAS number of 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride is 69838-64-8.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular formula of 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride is C26H28Cl3F3N4O2.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular weight of 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride is 590.12 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
You can request a quote for 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)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 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)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.