4-硝基-2,6-二甲基吡啶-N-氧化物
TL;DR: 4-硝基-2,6-二甲基吡啶-N-氧化物 (CAS 4808-64-4) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基-2,6-二甲基吡啶-N-氧化物
2,6-dimethyl-4-nitro-1-oxidopyridin-1-ium
Also Known As: 2,6-Dimethyl-4-nitropyridine N-oxide, 2,6-Dimethyl-4-nitropyridine 1-oxide, 2,6-dimethyl-4-nitropyridin-1-ium-1-olate, 2,6-dimethyl-4-nitro-1-oxidopyridin-1-ium, 2,6-Dimethyl-4-nitropyridine-1-oxide
| Molecular Formula | C7H8N2O3 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.0535 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 4808-64-4 |
|---|---|
| SMILES | CC1=CC(=CC(=[N+]1[O-])C)[N+](=O)[O-] |
| InChIKey | LFPUGENPUAERSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基-2,6-二甲基吡啶-N-氧化物 (CAS 4808-64-4), with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol. IUPAC: 2,6-dimethyl-4-nitro-1-oxidopyridin-1-ium.
Chemical Property Profile of 4-硝基-2,6-二甲基吡啶-N-氧化物
Property Insights of 4-硝基-2,6-二甲基吡啶-N-氧化物
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基-2,6-二甲基吡啶-N-氧化物. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基-2,6-二甲基吡啶-N-氧化物. Following Lipinski's Rule of Five, 4-硝基-2,6-二甲基吡啶-N-氧化物 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 4-硝基-2,6-二甲基吡啶-N-氧化物?
The CAS number of 4-硝基-2,6-二甲基吡啶-N-氧化物 is 4808-64-4.
What is the molecular formula of 4-硝基-2,6-二甲基吡啶-N-氧化物?
The molecular formula of 4-硝基-2,6-二甲基吡啶-N-氧化物 is C7H8N2O3.
What is the molecular weight of 4-硝基-2,6-二甲基吡啶-N-氧化物?
The molecular weight of 4-硝基-2,6-二甲基吡啶-N-氧化物 is 168.05 g/mol.
Where can I buy 4-硝基-2,6-二甲基吡啶-N-氧化物?
You can request a quote for 4-硝基-2,6-二甲基吡啶-N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基-2,6-二甲基吡啶-N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基-2,6-二甲基吡啶-N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.