![[4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate structure](/static/products/433/433307-03-0.png)
[4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate
TL;DR: [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate (CAS 433307-03-0) is a chemical compound with molecular formula C20H12BrNO5S and molecular weight 456.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate
Also Known As: [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate|(E)-4-bromo-2-(3-(thiophen-2-yl)acryloyl)phenyl 3-nitrobenzoate|[4-bromo-2-(3-thiophen-2-ylprop-2-enoyl)phenyl] 3-nitrobenzoate|2-((2E)-3-(2-thienyl)prop-2-enoyl)-4-bromophenyl 3-nitrobenzoate|4-bromo-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate
| Molecular Formula | C20H12BrNO5S |
|---|---|
| Molecular Weight | 456.96 g/mol |
| LogP | 5.5341 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.96198 |
| Heavy Atoms | 28 |
| Complexity | 1075.96 |
Chemical Identifiers
| CAS Number | 433307-03-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)Br)C(=O)/C=C/C3=CC=CS3 |
Product Overview
[4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate (CAS 433307-03-0), with molecular formula C20H12BrNO5S and molecular weight 456.96 g/mol. IUPAC: [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate.
Chemical Property Profile of [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate
Property Insights of [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate
The XLogP value of 5.5341 indicates that [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate 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 [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate. Following Lipinski's Rule of Five, [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate?
The CAS number of [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate is 433307-03-0.
What is the molecular formula of [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate?
The molecular formula of [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate is C20H12BrNO5S.
What is the molecular weight of [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate?
The molecular weight of [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate is 456.96 g/mol.
Where can I buy [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate?
You can request a quote for [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.