2-Tert-butyl-4-nitroquinoline 1-oxide
TL;DR: 2-Tert-butyl-4-nitroquinoline 1-oxide (CAS 33241-27-9) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-nitro-1-oxidoquinolin-1-ium
Also Known As: 2-Tert-butyl-4-nitroquinoline 1-oxide, 2-tert-butyl-4-nitro-1-oxidoquinolin-1-ium, Quinoline, 2-tert-butyl-4-nitro-, 1-oxide, Quinoline, 2-(1,1-dimethylethyl)-4-nitro-, 1-oxide
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 33241-27-9 |
|---|---|
| SMILES | CC(C)(C)C1=[N+](C2=CC=CC=C2C(=C1)[N+](=O)[O-])[O-] |
| InChIKey | DDDUZASKIDGAFG-UHFFFAOYSA-N |
Product Overview
2-Tert-butyl-4-nitroquinoline 1-oxide (CAS 33241-27-9), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 2-tert-butyl-4-nitro-1-oxidoquinolin-1-ium.
Chemical Property Profile of 2-Tert-butyl-4-nitroquinoline 1-oxide
Property Insights of 2-Tert-butyl-4-nitroquinoline 1-oxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butyl-4-nitroquinoline 1-oxide. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butyl-4-nitroquinoline 1-oxide. Following Lipinski's Rule of Five, 2-Tert-butyl-4-nitroquinoline 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 2-Tert-butyl-4-nitroquinoline 1-oxide?
The CAS number of 2-Tert-butyl-4-nitroquinoline 1-oxide is 33241-27-9.
What is the molecular formula of 2-Tert-butyl-4-nitroquinoline 1-oxide?
The molecular formula of 2-Tert-butyl-4-nitroquinoline 1-oxide is C13H14N2O3.
What is the molecular weight of 2-Tert-butyl-4-nitroquinoline 1-oxide?
The molecular weight of 2-Tert-butyl-4-nitroquinoline 1-oxide is 246.10 g/mol.
Where can I buy 2-Tert-butyl-4-nitroquinoline 1-oxide?
You can request a quote for 2-Tert-butyl-4-nitroquinoline 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-Tert-butyl-4-nitroquinoline 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-4-nitroquinoline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.