![[3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate structure](/static/products/3031/303151-65-7.webp)
[3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate
TL;DR: [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate (CAS 303151-65-7) is a chemical compound with molecular formula C20H20ClF3N4O2 and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]-N-methyl-3-oxopropan-1-imine oxide
Also Known As: [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate, 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-N-methyl-3-oxopropan-1-imine oxide
| Molecular Formula | C20H20ClF3N4O2 |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 3.8641 |
| Topological Polar Surface Area | 62.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.12268 |
| Heavy Atoms | 30 |
| Complexity | 936.05804 |
Chemical Identifiers
| CAS Number | 303151-65-7 |
|---|---|
| SMILES | C[N+](=CCC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)[O-] |
Product Overview
[3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate (CAS 303151-65-7), with molecular formula C20H20ClF3N4O2 and molecular weight 440.12 g/mol. IUPAC: 3-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]-N-methyl-3-oxopropan-1-imine oxide.
Chemical Property Profile of [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate
Property Insights of [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate
The XLogP value of 3.8641 indicates that [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.51 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate. Following Lipinski's Rule of Five, [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](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-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate?
The CAS number of [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate is 303151-65-7.
What is the molecular formula of [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate?
The molecular formula of [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate is C20H20ClF3N4O2.
What is the molecular weight of [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate?
The molecular weight of [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate is 440.12 g/mol.
Where can I buy [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate?
You can request a quote for [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](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-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-oxopropylidene](methyl)ammoniumolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.