2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate
TL;DR: 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate (CAS 401624-05-3) is a chemical compound with molecular formula C17H12BrNO5 and molecular weight 388.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate, (E)-2-(4-bromophenyl)-2-oxoethyl 3-(2-nitrophenyl)acrylate, [2-(4-bromophenyl)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
| Molecular Formula | C17H12BrNO5 |
|---|---|
| Molecular Weight | 388.99 g/mol |
| LogP | 3.7966 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.9899 |
| Heavy Atoms | 24 |
| Complexity | 798.8831 |
Chemical Identifiers
| CAS Number | 401624-05-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-] |
Product Overview
2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate (CAS 401624-05-3), with molecular formula C17H12BrNO5 and molecular weight 388.99 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate.
Chemical Property Profile of 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate
Property Insights of 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate
The XLogP value of 3.7966 indicates that 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate 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 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)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 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate?
The CAS number of 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate is 401624-05-3.
What is the molecular formula of 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate?
The molecular formula of 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate is C17H12BrNO5.
What is the molecular weight of 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate?
The molecular weight of 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate is 388.99 g/mol.
Where can I buy 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate?
You can request a quote for 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)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 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-2-oxoethyl (2E)-3-(2-nitrophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.