2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide
TL;DR: 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide (CAS 39950-97-5) is a chemical compound with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-ditert-butyl-4-oxidopyrazin-1-ium 1-oxide
Also Known As: 2,5-Ditert-butylpyrazine 1,4-dioxide, 2,5-di-tert-butyl-pyrazine 1,4-dioxide, 2,5-ditert-butyl-4-oxidopyrazin-1-ium 1-oxide, 2,5-Bis(1,1-dimethylethyl)pyrazine 1,4-dioxide, 2,5-di-tert-butylpyrazine-1,4-diium-1,4-bis(olate)
| Molecular Formula | C12H20N2O2 |
|---|---|
| Molecular Weight | 224.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.15248 |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 39950-97-5 |
|---|---|
| SMILES | CC(C)(C)C1=CN(C(=C[N+]1=O)C(C)(C)C)[O-] |
| InChIKey | FZAQXLOBMSPFTA-UHFFFAOYSA-N |
Product Overview
2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide (CAS 39950-97-5), with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol. IUPAC: 2,5-ditert-butyl-4-oxidopyrazin-1-ium 1-oxide.
Chemical Property Profile of 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide
Property Insights of 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide. With a topological polar surface area (TPSA) of 46.4 Ų, 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Ditert-butyl-4-oxidopyrazin-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 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide?
The CAS number of 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide is 39950-97-5.
What is the molecular formula of 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide?
The molecular formula of 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide is C12H20N2O2.
What is the molecular weight of 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide?
The molecular weight of 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide is 224.15 g/mol.
Where can I buy 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide?
You can request a quote for 2,5-Ditert-butyl-4-oxidopyrazin-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 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Ditert-butyl-4-oxidopyrazin-1-ium 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.