4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate
TL;DR: 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate (CAS 327094-40-6) is a chemical compound with molecular formula C14H11NO4S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl (E)-3-thiophen-2-ylprop-2-enoate
Also Known As: (E)-4-nitrobenzyl 3-(thiophen-2-yl)acrylate, 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate, (4-nitrophenyl)methyl (E)-3-thiophen-2-ylprop-2-enoate, (4-nitrophenyl)methyl (2E)-3-(2-thienyl)prop-2-enoate
| Molecular Formula | C14H11NO4S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 3.4129 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.0409 |
| Heavy Atoms | 20 |
| Complexity | 617.1333 |
Chemical Identifiers
| CAS Number | 327094-40-6 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate (CAS 327094-40-6), with molecular formula C14H11NO4S and molecular weight 289.04 g/mol. IUPAC: (4-nitrophenyl)methyl (E)-3-thiophen-2-ylprop-2-enoate.
Chemical Property Profile of 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate
Property Insights of 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate
The XLogP value of 3.4129 indicates that 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate. Following Lipinski's Rule of Five, 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate has 0 hydrogen bond donor(s) and 5 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 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate?
The CAS number of 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate is 327094-40-6.
What is the molecular formula of 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate?
The molecular formula of 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate is C14H11NO4S.
What is the molecular weight of 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate?
The molecular weight of 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate is 289.04 g/mol.
Where can I buy 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate?
You can request a quote for 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrobenzyl (2E)-3-(thiophen-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.