Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide
TL;DR: Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide (CAS 86475-99-2) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1-oxido-6-propan-2-ylquinolin-1-ium
Also Known As: 6-Isopropyl-4-nitroquinoline-1-oxide, Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide, 4-nitro-1-oxido-6-propan-2-ylquinolin-1-ium, Quinoline,6-(1-methylethyl)-4-nitro-,1-oxide, 6-(1-METHYLETHYL)-4-NITROQUINOLINE 1-OXIDE
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 86475-99-2 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C[N+](=C2C=C1)[O-])[N+](=O)[O-] |
| InChIKey | XHTMHKSZSDFKBD-UHFFFAOYSA-N |
Product Overview
Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide (CAS 86475-99-2), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 4-nitro-1-oxido-6-propan-2-ylquinolin-1-ium.
Chemical Property Profile of Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide
Property Insights of Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide. Following Lipinski's Rule of Five, Quinoline, 6-(1-methylethyl)-4-nitro-, 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 Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide?
The CAS number of Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide is 86475-99-2.
What is the molecular formula of Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide?
The molecular formula of Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide is C12H12N2O3.
What is the molecular weight of Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide?
The molecular weight of Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide is 232.08 g/mol.
Where can I buy Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide?
You can request a quote for Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Quinoline, 6-(1-methylethyl)-4-nitro-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.