6-叔丁基-4-硝基喹啉1-氧化物
TL;DR: 6-叔丁基-4-硝基喹啉1-氧化物 (CAS 23484-01-7) 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.
6-叔丁基-4-硝基喹啉1-氧化物
6-tert-butyl-4-nitro-1-oxidoquinolin-1-ium
Also Known As: 6-tert-Butyl-4-nitroquinoline 1-oxide, Quinoline, 6-tert-butyl-4-nitro-, 1-oxide, 6-tert-butyl-4-nitro-1-oxidoquinolin-1-ium, 6-tert-Butyl-4-nitro-1-oxo-1lambda~5~-quinoline, Quinoline, 6-(1,1-dimethylethyl)-4-nitro-, 1-oxide
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.7 |
| 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 | 23484-01-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C[N+](=C2C=C1)[O-])[N+](=O)[O-] |
| InChIKey | QUOJAXJCOKSDHL-UHFFFAOYSA-N |
Product Overview
6-叔丁基-4-硝基喹啉1-氧化物 (CAS 23484-01-7), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 6-tert-butyl-4-nitro-1-oxidoquinolin-1-ium.
Chemical Property Profile of 6-叔丁基-4-硝基喹啉1-氧化物
Property Insights of 6-叔丁基-4-硝基喹啉1-氧化物
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-叔丁基-4-硝基喹啉1-氧化物. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-叔丁基-4-硝基喹啉1-氧化物. Following Lipinski's Rule of Five, 6-叔丁基-4-硝基喹啉1-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 6-叔丁基-4-硝基喹啉1-氧化物?
The CAS number of 6-叔丁基-4-硝基喹啉1-氧化物 is 23484-01-7.
What is the molecular formula of 6-叔丁基-4-硝基喹啉1-氧化物?
The molecular formula of 6-叔丁基-4-硝基喹啉1-氧化物 is C13H14N2O3.
What is the molecular weight of 6-叔丁基-4-硝基喹啉1-氧化物?
The molecular weight of 6-叔丁基-4-硝基喹啉1-氧化物 is 246.10 g/mol.
Where can I buy 6-叔丁基-4-硝基喹啉1-氧化物?
You can request a quote for 6-叔丁基-4-硝基喹啉1-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 6-叔丁基-4-硝基喹啉1-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 6-叔丁基-4-硝基喹啉1-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.