4-(4-Nitro-benzyl)-pyridine 1-oxide
TL;DR: 4-(4-Nitro-benzyl)-pyridine 1-oxide (CAS 26199-99-5) is a chemical compound with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)methyl]-1-oxidopyridin-1-ium
Also Known As: 4-(4-nitrobenzyl)pyridine N-oxide, 4-(4-Nitrobenzyl)pyridine 1-oxide, 4-(4-nitro-benzyl)-pyridine 1-oxide, 4-(4-nitro-benzyl)-pyridine I-oxide, J3.008.762C
| Molecular Formula | C12H10N2O3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 1.819 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.06914 |
| Heavy Atoms | 17 |
| Complexity | 520.4519 |
Chemical Identifiers
| CAS Number | 26199-99-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=[N+](C=C2)[O-])[N+](=O)[O-] |
Product Overview
4-(4-Nitro-benzyl)-pyridine 1-oxide (CAS 26199-99-5), with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol. IUPAC: 4-[(4-nitrophenyl)methyl]-1-oxidopyridin-1-ium.
Chemical Property Profile of 4-(4-Nitro-benzyl)-pyridine 1-oxide
Property Insights of 4-(4-Nitro-benzyl)-pyridine 1-oxide
The XLogP value of 1.819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Nitro-benzyl)-pyridine 1-oxide. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitro-benzyl)-pyridine 1-oxide. Following Lipinski's Rule of Five, 4-(4-Nitro-benzyl)-pyridine 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 4-(4-Nitro-benzyl)-pyridine 1-oxide?
The CAS number of 4-(4-Nitro-benzyl)-pyridine 1-oxide is 26199-99-5.
What is the molecular formula of 4-(4-Nitro-benzyl)-pyridine 1-oxide?
The molecular formula of 4-(4-Nitro-benzyl)-pyridine 1-oxide is C12H10N2O3.
What is the molecular weight of 4-(4-Nitro-benzyl)-pyridine 1-oxide?
The molecular weight of 4-(4-Nitro-benzyl)-pyridine 1-oxide is 230.07 g/mol.
Where can I buy 4-(4-Nitro-benzyl)-pyridine 1-oxide?
You can request a quote for 4-(4-Nitro-benzyl)-pyridine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Nitro-benzyl)-pyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Nitro-benzyl)-pyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.