![{[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate structure](/static/products/3214/321432-40-0.webp)
{[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate
TL;DR: {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate (CAS 321432-40-0) is a chemical compound with molecular formula C20H22ClF3N4O2 and molecular weight 442.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-methylmethanimine oxide
Also Known As: {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate, 1-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]-N-methylmethanimine oxide
| Molecular Formula | C20H22ClF3N4O2 |
|---|---|
| Molecular Weight | 442.14 g/mol |
| LogP | 3.5138 |
| Topological Polar Surface Area | 54.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.13834 |
| Heavy Atoms | 30 |
| Complexity | 895.8606 |
Chemical Identifiers
| CAS Number | 321432-40-0 |
|---|---|
| SMILES | C[N+](=CC1=CC(=CC=C1)OCCN2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)[O-] |
Product Overview
{[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate (CAS 321432-40-0), with molecular formula C20H22ClF3N4O2 and molecular weight 442.14 g/mol. IUPAC: 1-[3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-methylmethanimine oxide.
Chemical Property Profile of {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate
Property Insights of {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate
The XLogP value of 3.5138 indicates that {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.67 Ų, {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate has 0 hydrogen bond donor(s) and 5 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 {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate?
The CAS number of {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate is 321432-40-0.
What is the molecular formula of {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate?
The molecular formula of {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate is C20H22ClF3N4O2.
What is the molecular weight of {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate?
The molecular weight of {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate is 442.14 g/mol.
Where can I buy {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate?
You can request a quote for {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate?
Yes, KEHONG BIO provides custom synthesis services for {[3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methylene}(methyl)ammoniumolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.