![Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate structure](/static/products/896/896212-69-4.png)
Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate
TL;DR: Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate (CAS 896212-69-4) is a chemical compound with molecular formula C14H17F3N2O2 and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetate
Also Known As: methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate, Methyl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetate, methyl {4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetate, methyl 2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetate, METHYL 2-{4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO}ACETATE
| Molecular Formula | C14H17F3N2O2 |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 2.0004 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.1242 |
| Heavy Atoms | 21 |
| Complexity | 497.23764 |
Chemical Identifiers
| CAS Number | 896212-69-4 |
|---|---|
| SMILES | COC(=O)CN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F |
Product Overview
Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate (CAS 896212-69-4), with molecular formula C14H17F3N2O2 and molecular weight 302.12 g/mol. IUPAC: methyl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetate.
Chemical Property Profile of Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate
Property Insights of Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate
The XLogP value of 2.0004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate. With a topological polar surface area (TPSA) of 32.78 Ų, Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate 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 Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate?
The CAS number of Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate is 896212-69-4.
What is the molecular formula of Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate?
The molecular formula of Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate is C14H17F3N2O2.
What is the molecular weight of Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate?
The molecular weight of Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate is 302.12 g/mol.
Where can I buy Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate?
You can request a quote for Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{4-[3-(trifluoromethyl)phenyl]piperazinyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.