2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
TL;DR: 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide (CAS 39576-79-9) is a chemical compound with molecular formula C9H7BrN2O2 and molecular weight 253.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Also Known As: 2-bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide, 2-Bromo-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate
| Molecular Formula | C9H7BrN2O2 |
|---|---|
| Molecular Weight | 253.97 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.96909 |
| Heavy Atoms | 14 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 39576-79-9 |
|---|---|
| SMILES | CC1=C([N+](=O)C2=CC=CC=C2N1[O-])Br |
| InChIKey | KDIMRJYAZMXDAP-UHFFFAOYSA-N |
Product Overview
2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide (CAS 39576-79-9), with molecular formula C9H7BrN2O2 and molecular weight 253.97 g/mol. IUPAC: 2-bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide.
Chemical Property Profile of 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Property Insights of 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide. With a topological polar surface area (TPSA) of 46.4 Ų, 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide has 0 hydrogen bond donor(s) and 3 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-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide?
The CAS number of 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide is 39576-79-9.
What is the molecular formula of 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide?
The molecular formula of 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide is C9H7BrN2O2.
What is the molecular weight of 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide?
The molecular weight of 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide is 253.97 g/mol.
Where can I buy 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide?
You can request a quote for 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.