4-Picoline N-oxide
TL;DR: 4-Picoline N-oxide (CAS 1003-67-4) is a chemical compound with molecular formula C6H7NO and molecular weight 109.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-oxidopyridin-1-ium
Also Known As: 4-Picoline-N-oxide, 4-Picoline N-oxide, 4-Methylpyridine N-oxide, 4-Methylpyridine 1-oxide, Pyridine, 4-methyl-, 1-oxide
| Molecular Formula | C6H7NO |
|---|---|
| Molecular Weight | 109.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.052765 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Vapor Pressure | 0.05 [mmHg] |
Chemical Identifiers
| CAS Number | 1003-67-4 |
|---|---|
| SMILES | CC1=CC=[N+](C=C1)[O-] |
| InChIKey | IWYYIZOHWPCALJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Picoline N-oxide (CAS 1003-67-4), with molecular formula C6H7NO and molecular weight 109.05 g/mol. IUPAC: 4-methyl-1-oxidopyridin-1-ium.
Chemical Property Profile of 4-Picoline N-oxide
Property Insights of 4-Picoline N-oxide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Picoline N-oxide. With a topological polar surface area (TPSA) of 25.5 Ų, 4-Picoline N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Picoline N-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 4-Picoline N-oxide?
The CAS number of 4-Picoline N-oxide is 1003-67-4.
What is the molecular formula of 4-Picoline N-oxide?
The molecular formula of 4-Picoline N-oxide is C6H7NO.
What is the molecular weight of 4-Picoline N-oxide?
The molecular weight of 4-Picoline N-oxide is 109.05 g/mol.
Where can I buy 4-Picoline N-oxide?
You can request a quote for 4-Picoline N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Picoline N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Picoline N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.