![[2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate structure](/static/products/100/1004478-31-2.png)
[2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
TL;DR: [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate (CAS 1004478-31-2) is a chemical compound with molecular formula C15H12FNO3S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
Also Known As: [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
| Molecular Formula | C15H12FNO3S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 3.0823 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0522 |
| Heavy Atoms | 21 |
| Complexity | 635.4482 |
Chemical Identifiers
| CAS Number | 1004478-31-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)COC(=O)/C=C/C2=CSC=C2)F |
Product Overview
[2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate (CAS 1004478-31-2), with molecular formula C15H12FNO3S and molecular weight 305.05 g/mol. IUPAC: [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate.
Chemical Property Profile of [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
Property Insights of [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
The XLogP value of 3.0823 indicates that [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(4-fluoroanilino)-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-(4-fluoroanilino)-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-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The CAS number of [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is 1004478-31-2.
What is the molecular formula of [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The molecular formula of [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is C15H12FNO3S.
What is the molecular weight of [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The molecular weight of [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is 305.05 g/mol.
Where can I buy [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
You can request a quote for [2-(4-fluoroanilino)-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-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.