![Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]- structure](/static/products/6094/60949-39-5.webp)
Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-
TL;DR: Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]- (CAS 60949-39-5) is a chemical compound with molecular formula C11H9BrN2O3 and molecular weight 295.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(bromomethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]ethanone
Also Known As: Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-, 2-acetyl-3-bromomethylquinoxaline 1,4 dioxide, 2-acetyl-3-bromomethylquinoxaline 1,4-dioxide, 2-acetyl-3-bromomethylquinoxaline-1,4-dioxide, 2-Acetyl-3-Bromomethyl-Quinoxaline-1,4-Dioxide
| Molecular Formula | C11H9BrN2O3 |
|---|---|
| Molecular Weight | 295.98 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 63.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.97964 |
| Heavy Atoms | 17 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 60949-39-5 |
|---|---|
| SMILES | CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CBr |
| InChIKey | JBGDLRVJRCXTDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]- (CAS 60949-39-5), with molecular formula C11H9BrN2O3 and molecular weight 295.98 g/mol. IUPAC: 1-[3-(bromomethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]ethanone.
Chemical Property Profile of Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-
Property Insights of Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-. Following Lipinski's Rule of Five, Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]- 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 Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-?
The CAS number of Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]- is 60949-39-5.
What is the molecular formula of Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-?
The molecular formula of Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]- is C11H9BrN2O3.
What is the molecular weight of Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-?
The molecular weight of Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]- is 295.98 g/mol.
Where can I buy Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-?
You can request a quote for Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-[3-(bromomethyl)-1,4-dioxido-2-quinoxalinyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.