4-硝基苯乙基溴
TL;DR: 4-硝基苯乙基溴 (CAS 5339-26-4) is a chemical compound with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯乙基溴
1-(2-bromoethyl)-4-nitrobenzene
Also Known As: 4-Nitrophenethyl bromide, 1-(2-Bromoethyl)-4-nitrobenzene, 4-Nitrophenethylbromide, p-Nitrophenethyl bromide, 2-(4-Nitrophenyl)ethyl bromide
| Molecular Formula | C8H8BrNO2 |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.97385 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 5339-26-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CCBr)[N+](=O)[O-] |
| InChIKey | NTURQZFFJDCTMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基苯乙基溴 (CAS 5339-26-4), with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol. IUPAC: 1-(2-bromoethyl)-4-nitrobenzene.
Chemical Property Profile of 4-硝基苯乙基溴
Property Insights of 4-硝基苯乙基溴
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯乙基溴. With a topological polar surface area (TPSA) of 45.8 Ų, 4-硝基苯乙基溴 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-硝基苯乙基溴 has 0 hydrogen bond donor(s) and 2 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-硝基苯乙基溴?
The CAS number of 4-硝基苯乙基溴 is 5339-26-4.
What is the molecular formula of 4-硝基苯乙基溴?
The molecular formula of 4-硝基苯乙基溴 is C8H8BrNO2.
What is the molecular weight of 4-硝基苯乙基溴?
The molecular weight of 4-硝基苯乙基溴 is 228.97 g/mol.
Where can I buy 4-硝基苯乙基溴?
You can request a quote for 4-硝基苯乙基溴 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯乙基溴?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯乙基溴 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.