2,4-Dimethylpyridine 1-oxide
TL;DR: 2,4-Dimethylpyridine 1-oxide (CAS 1122-45-8) is a chemical compound with molecular formula C7H9NO and molecular weight 123.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-1-oxidopyridin-1-ium
Also Known As: 2,4-Dimethylpyridine 1-oxide, 2,4-Dimethyl-pyridine 1-oxide, 2,4-Dimethylpyridine N-Oxide, 2,4-dimethyl-1-oxidopyridin-1-ium, 2,4-Lutidine-1-oxide
| Molecular Formula | C7H9NO |
|---|---|
| Molecular Weight | 123.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 123.06841 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 1122-45-8 |
|---|---|
| SMILES | CC1=CC(=[N+](C=C1)[O-])C |
| InChIKey | KMQVCYOPBMKRKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethylpyridine 1-oxide (CAS 1122-45-8), with molecular formula C7H9NO and molecular weight 123.07 g/mol. IUPAC: 2,4-dimethyl-1-oxidopyridin-1-ium.
Chemical Property Profile of 2,4-Dimethylpyridine 1-oxide
Property Insights of 2,4-Dimethylpyridine 1-oxide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylpyridine 1-oxide. With a topological polar surface area (TPSA) of 25.5 Ų, 2,4-Dimethylpyridine 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylpyridine 1-oxide has 0 hydrogen bond donor(s) and 1 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 2,4-Dimethylpyridine 1-oxide?
The CAS number of 2,4-Dimethylpyridine 1-oxide is 1122-45-8.
What is the molecular formula of 2,4-Dimethylpyridine 1-oxide?
The molecular formula of 2,4-Dimethylpyridine 1-oxide is C7H9NO.
What is the molecular weight of 2,4-Dimethylpyridine 1-oxide?
The molecular weight of 2,4-Dimethylpyridine 1-oxide is 123.07 g/mol.
Where can I buy 2,4-Dimethylpyridine 1-oxide?
You can request a quote for 2,4-Dimethylpyridine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylpyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylpyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.