![[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate structure](/static/products/100/1004478-84-5.png)
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
TL;DR: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate (CAS 1004478-84-5) is a chemical compound with molecular formula C17H16FNO3S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
Also Known As: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
| Molecular Formula | C17H16FNO3S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 2.8025 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.0835 |
| Heavy Atoms | 23 |
| Complexity | 665.65674 |
Chemical Identifiers
| CAS Number | 1004478-84-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCNC(=O)COC(=O)/C=C/C2=CSC=C2)F |
Product Overview
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate (CAS 1004478-84-5), with molecular formula C17H16FNO3S and molecular weight 333.08 g/mol. IUPAC: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate.
Chemical Property Profile of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
Property Insights of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
The XLogP value of 2.8025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate. With a topological polar surface area (TPSA) of 55.4 Ų, [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate 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-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The CAS number of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is 1004478-84-5.
What is the molecular formula of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The molecular formula of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is C17H16FNO3S.
What is the molecular weight of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The molecular weight of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is 333.08 g/mol.
Where can I buy [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
You can request a quote for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.