![2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one structure](/static/products/873/87358-98-3.png)
2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
TL;DR: 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one (CAS 87358-98-3) is a chemical compound with molecular formula C13H14ClF3N2O and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
Also Known As: 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one, 2-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, 1-(chloroacetyl)-4-[3-(trifluoromethyl)phenyl]piperazine, 2-chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone, 2-chloro-1-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethan-1-one
| Molecular Formula | C13H14ClF3N2O |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 2.5928 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.07468 |
| Heavy Atoms | 20 |
| Complexity | 484.74976 |
Chemical Identifiers
| CAS Number | 87358-98-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCl |
Product Overview
2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one (CAS 87358-98-3), with molecular formula C13H14ClF3N2O and molecular weight 306.07 g/mol. IUPAC: 2-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
Chemical Property Profile of 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Property Insights of 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
The XLogP value of 2.5928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one. With a topological polar surface area (TPSA) of 23.55 Ų, 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one has 0 hydrogen bond donor(s) and 2 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-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one?
The CAS number of 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one is 87358-98-3.
What is the molecular formula of 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one?
The molecular formula of 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one is C13H14ClF3N2O.
What is the molecular weight of 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one?
The molecular weight of 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one is 306.07 g/mol.
Where can I buy 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one?
You can request a quote for 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.