((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate
TL;DR: ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate (CAS 114430-07-8) is a chemical compound with molecular formula C11H10BrNO4 and molecular weight 298.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-3-(4-bromophenyl)-2-nitroprop-2-enyl] acetate
Also Known As: ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate, [(Z)-3-(4-bromophenyl)-2-nitroprop-2-enyl] acetate, [(Z)-3-(4-bromophenyl)-2-nitro-prop-2-enyl] Acetate
| Molecular Formula | C11H10BrNO4 |
|---|---|
| Molecular Weight | 298.98 g/mol |
| LogP | 2.6298 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.9793 |
| Heavy Atoms | 17 |
| Complexity | 453.04416 |
Chemical Identifiers
| CAS Number | 114430-07-8 |
|---|---|
| SMILES | CC(=O)OC/C(=C/C1=CC=C(C=C1)Br)/[N+](=O)[O-] |
Product Overview
((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate (CAS 114430-07-8), with molecular formula C11H10BrNO4 and molecular weight 298.98 g/mol. IUPAC: [(Z)-3-(4-bromophenyl)-2-nitroprop-2-enyl] acetate.
Chemical Property Profile of ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate
Property Insights of ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate
The XLogP value of 2.6298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate. Following Lipinski's Rule of Five, ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate has 0 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 ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate?
The CAS number of ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate is 114430-07-8.
What is the molecular formula of ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate?
The molecular formula of ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate is C11H10BrNO4.
What is the molecular weight of ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate?
The molecular weight of ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate is 298.98 g/mol.
Where can I buy ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate?
You can request a quote for ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for ((Z)-3-(4-Bromophenyl)-2-nitroprop-2-enyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.