![Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate structure](/static/products/6333/633318-79-3.webp)
Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate
TL;DR: Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate (CAS 633318-79-3) is a chemical compound with molecular formula C20H25F3N2O5 and molecular weight 430.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]propanedioate
Also Known As: diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate, diethyl 2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]propanedioate, 1,3-diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)propanedioate
| Molecular Formula | C20H25F3N2O5 |
|---|---|
| Molecular Weight | 430.17 g/mol |
| LogP | 2.4865 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.17157 |
| Heavy Atoms | 30 |
| Complexity | 743.054 |
Chemical Identifiers
| CAS Number | 633318-79-3 |
|---|---|
| SMILES | CCOC(=O)C(CC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC |
Product Overview
Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate (CAS 633318-79-3), with molecular formula C20H25F3N2O5 and molecular weight 430.17 g/mol. IUPAC: diethyl 2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]propanedioate.
Chemical Property Profile of Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate
Property Insights of Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate
The XLogP value of 2.4865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate. Following Lipinski's Rule of Five, Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate has 0 hydrogen bond donor(s) and 6 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 Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate?
The CAS number of Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate is 633318-79-3.
What is the molecular formula of Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate?
The molecular formula of Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate is C20H25F3N2O5.
What is the molecular weight of Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate?
The molecular weight of Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate is 430.17 g/mol.
Where can I buy Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate?
You can request a quote for Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.