3-Tert-butyl-1-oxidoquinoxalin-1-ium
TL;DR: 3-Tert-butyl-1-oxidoquinoxalin-1-ium (CAS 16007-51-5) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1-oxidoquinoxalin-1-ium
Also Known As: 3-tert-butyl-1-oxidoquinoxalin-1-ium, 3-tert-Butylquinoxaline 1-oxide, 2-tert-Butylquinoxaline 4-oxide, 3-tert-butylquinoxalin-1-ium-1-olate, Quinoxaline, 2-tert-butyl-, 4-oxide
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 16007-51-5 |
|---|---|
| SMILES | CC(C)(C)C1=NC2=CC=CC=C2[N+](=C1)[O-] |
| InChIKey | FGRAXHUAPKQWGN-UHFFFAOYSA-N |
Product Overview
3-Tert-butyl-1-oxidoquinoxalin-1-ium (CAS 16007-51-5), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 3-tert-butyl-1-oxidoquinoxalin-1-ium.
Chemical Property Profile of 3-Tert-butyl-1-oxidoquinoxalin-1-ium
Property Insights of 3-Tert-butyl-1-oxidoquinoxalin-1-ium
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butyl-1-oxidoquinoxalin-1-ium. With a topological polar surface area (TPSA) of 38.4 Ų, 3-Tert-butyl-1-oxidoquinoxalin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-1-oxidoquinoxalin-1-ium 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 3-Tert-butyl-1-oxidoquinoxalin-1-ium?
The CAS number of 3-Tert-butyl-1-oxidoquinoxalin-1-ium is 16007-51-5.
What is the molecular formula of 3-Tert-butyl-1-oxidoquinoxalin-1-ium?
The molecular formula of 3-Tert-butyl-1-oxidoquinoxalin-1-ium is C12H14N2O.
What is the molecular weight of 3-Tert-butyl-1-oxidoquinoxalin-1-ium?
The molecular weight of 3-Tert-butyl-1-oxidoquinoxalin-1-ium is 202.11 g/mol.
Where can I buy 3-Tert-butyl-1-oxidoquinoxalin-1-ium?
You can request a quote for 3-Tert-butyl-1-oxidoquinoxalin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-1-oxidoquinoxalin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-1-oxidoquinoxalin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.