![2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid structure](/static/products/885/885274-23-7.png)
2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid
TL;DR: 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid (CAS 885274-23-7) is a chemical compound with molecular formula C18H23F3N2O4 and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]acetic acid
Also Known As: acetic acid, L-3,4-Dimethoxyphenylalanine, 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid, 2-(4-Boc-piperazinyl)-2-(2-trifluoromethyl-phenyl)acetic acid, 2-(4-boc-piperazinyl)-2-(2-trifluoromethylphenyl)acetic acid
| Molecular Formula | C18H23F3N2O4 |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 3.3838 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.16098 |
| Heavy Atoms | 27 |
| Complexity | 692.5825 |
Chemical Identifiers
| CAS Number | 885274-23-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC=CC=C2C(F)(F)F)C(=O)O |
Product Overview
2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid (CAS 885274-23-7), with molecular formula C18H23F3N2O4 and molecular weight 388.16 g/mol. IUPAC: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]acetic acid.
Chemical Property Profile of 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid
Property Insights of 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid
The XLogP value of 3.3838 indicates that 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid. Following Lipinski's Rule of Five, 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid has 1 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 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
The CAS number of 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid is 885274-23-7.
What is the molecular formula of 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
The molecular formula of 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid is C18H23F3N2O4.
What is the molecular weight of 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
The molecular weight of 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid is 388.16 g/mol.
Where can I buy 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
You can request a quote for 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.