![4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide structure](/static/products/1164/1164512-96-2.webp)
4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide
TL;DR: 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide (CAS 1164512-96-2) is a chemical compound with molecular formula C20H21ClF3N5O and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(dimethylaminomethylidene)benzamide
Also Known As: 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide, 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-N-(dimethylaminomethylidene)benzamide, 4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-N-[(1E)-(dimethylamino)methylidene]benzamide, 4-{4-[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERAZIN-1-YL}-N-[(DIMETHYLAMINO)METHYLIDENE]BENZAMIDE
| Molecular Formula | C20H21ClF3N5O |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 3.8105 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.13867 |
| Heavy Atoms | 30 |
| Complexity | 923.0294 |
Chemical Identifiers
| CAS Number | 1164512-96-2 |
|---|---|
| SMILES | CN(C)C=NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide (CAS 1164512-96-2), with molecular formula C20H21ClF3N5O and molecular weight 439.14 g/mol. IUPAC: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(dimethylaminomethylidene)benzamide.
Chemical Property Profile of 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide
Property Insights of 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide
The XLogP value of 3.8105 indicates that 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.04 Ų, 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide has 0 hydrogen bond donor(s) and 4 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 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide?
The CAS number of 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide is 1164512-96-2.
What is the molecular formula of 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide?
The molecular formula of 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide is C20H21ClF3N5O.
What is the molecular weight of 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide?
The molecular weight of 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide is 439.14 g/mol.
Where can I buy 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide?
You can request a quote for 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-N-[(dimethylamino)methylene]benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.