2-pyridyl-N-t-butyl nitrone
TL;DR: 2-pyridyl-N-t-butyl nitrone (CAS 72877-59-9) is a chemical compound with molecular formula C10H14N2O and molecular weight 178.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-1-pyridin-2-ylmethanimine oxide
Also Known As: 2-Pyridine-t-butylnitrone, 2-pyridyl-N-t-butyl nitrone, alpha-(2-pyridyl)-N-t-butylnitrone, 2-Methyl-N-(2-pyridinylmethylene)-2-propanamine N-oxide, 2-Propanamine, 2-methyl-N-(2-pyridinylmethylene)-, N-oxide
| Molecular Formula | C10H14N2O |
|---|---|
| Molecular Weight | 178.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.11061 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 72877-59-9 |
|---|---|
| SMILES | CC(C)(C)[N+](=CC1=CC=CC=N1)[O-] |
| InChIKey | ZWGJANDKRQQAAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-pyridyl-N-t-butyl nitrone (CAS 72877-59-9), with molecular formula C10H14N2O and molecular weight 178.11 g/mol. IUPAC: N-tert-butyl-1-pyridin-2-ylmethanimine oxide.
Chemical Property Profile of 2-pyridyl-N-t-butyl nitrone
Property Insights of 2-pyridyl-N-t-butyl nitrone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-pyridyl-N-t-butyl nitrone. With a topological polar surface area (TPSA) of 41.6 Ų, 2-pyridyl-N-t-butyl nitrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-pyridyl-N-t-butyl nitrone 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 2-pyridyl-N-t-butyl nitrone?
The CAS number of 2-pyridyl-N-t-butyl nitrone is 72877-59-9.
What is the molecular formula of 2-pyridyl-N-t-butyl nitrone?
The molecular formula of 2-pyridyl-N-t-butyl nitrone is C10H14N2O.
What is the molecular weight of 2-pyridyl-N-t-butyl nitrone?
The molecular weight of 2-pyridyl-N-t-butyl nitrone is 178.11 g/mol.
Where can I buy 2-pyridyl-N-t-butyl nitrone?
You can request a quote for 2-pyridyl-N-t-butyl nitrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-pyridyl-N-t-butyl nitrone?
Yes, KEHONG BIO provides custom synthesis services for 2-pyridyl-N-t-butyl nitrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.