(E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate
TL;DR: (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate (CAS 380547-07-9) is a chemical compound with molecular formula C15H11NO5S and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
Also Known As: (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate, AB00667830-01, 2-(4-nitrophenyl)-2-oxoethyl (2E)-3-(thiophen-2-yl)prop-2-enoate, F0448-0018, [2-(4-nitrophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
| Molecular Formula | C15H11NO5S |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 3.0956 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.0358 |
| Heavy Atoms | 22 |
| Complexity | 704.0439 |
Chemical Identifiers
| CAS Number | 380547-07-9 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate (CAS 380547-07-9), with molecular formula C15H11NO5S and molecular weight 317.04 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.
Chemical Property Profile of (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate
Property Insights of (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate
The XLogP value of 3.0956 indicates that (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate. Following Lipinski's Rule of Five, (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate 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 (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate?
The CAS number of (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate is 380547-07-9.
What is the molecular formula of (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate?
The molecular formula of (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate is C15H11NO5S.
What is the molecular weight of (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate?
The molecular weight of (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate is 317.04 g/mol.
Where can I buy (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate?
You can request a quote for (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-nitrophenyl)-2-oxoethyl 3-(thiophen-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.