![2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone structure](/static/products/861/861209-70-3.png)
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone
TL;DR: 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone (CAS 861209-70-3) is a chemical compound with molecular formula C13H15ClF3N3O and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazin-1-yl)ethanone
Also Known As: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone, 2T-0899, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one, 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-(4-methylpiperazin-1-yl)ethanone
| Molecular Formula | C13H15ClF3N3O |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 2.0703 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.08557 |
| Heavy Atoms | 21 |
| Complexity | 527.88306 |
Chemical Identifiers
| CAS Number | 861209-70-3 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone (CAS 861209-70-3), with molecular formula C13H15ClF3N3O and molecular weight 321.09 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone
Property Insights of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone
The XLogP value of 2.0703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone. With a topological polar surface area (TPSA) of 36.44 Ų, 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone has 0 hydrogen bond donor(s) and 3 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 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone?
The CAS number of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone is 861209-70-3.
What is the molecular formula of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone?
The molecular formula of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone is C13H15ClF3N3O.
What is the molecular weight of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone?
The molecular weight of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone is 321.09 g/mol.
Where can I buy 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone?
You can request a quote for 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methylpiperazino)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.