Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate
TL;DR: Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate (CAS 372085-90-0) is a chemical compound with molecular formula C20H19F3N2O5 and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-2-(1,3-benzodioxol-5-ylmethylamino)-3,3,3-trifluoropropanoate
Also Known As: NCI60_030470, Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate, (S)-ethyl 2-benzamido-2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-3,3,3-trifluoropropanoate, Ethyl 2-((1,3-benzodioxol-5-ylmethyl)amino)-2-(benzoylamino)-3,3,3-trifluoropropanoate, Ethyl 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-(benzoylamino)-3,3,3-trifluoropropanoate #
| Molecular Formula | C20H19F3N2O5 |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.1246 |
| Heavy Atoms | 30 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 372085-90-0 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3 |
| InChIKey | WYHVFDDBLHCEJQ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate (CAS 372085-90-0), with molecular formula C20H19F3N2O5 and molecular weight 424.12 g/mol. IUPAC: ethyl 2-benzamido-2-(1,3-benzodioxol-5-ylmethylamino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate
Property Insights of Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate
The XLogP value of 3.4 indicates that Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate. Following Lipinski's Rule of Five, Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate has 2 hydrogen bond donor(s) and 9 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 Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate?
The CAS number of Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate is 372085-90-0.
What is the molecular formula of Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate?
The molecular formula of Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate is C20H19F3N2O5.
What is the molecular weight of Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate?
The molecular weight of Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate is 424.12 g/mol.
Where can I buy Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate?
You can request a quote for Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.