4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium
TL;DR: 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium (CAS 93898-54-5) is a chemical compound with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium
Also Known As: NCIOpen2_002375, 4-nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium, 4-nitro-2-(1-piperidylmethyl)-2H-quinoline 1-oxide, 4-Nitro-1-oxo-2-[(piperidin-1-yl)methyl]-1lambda~5~-quinoline
| Molecular Formula | C15H17N3O3 |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 2.3673 |
| Topological Polar Surface Area | 73.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.12698 |
| Heavy Atoms | 21 |
| Complexity | 681.1633 |
Chemical Identifiers
| CAS Number | 93898-54-5 |
|---|---|
| SMILES | C1CCN(CC1)CC2=[N+](C3=CC=CC=C3C(=C2)[N+](=O)[O-])[O-] |
Product Overview
4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium (CAS 93898-54-5), with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol. IUPAC: 4-nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium.
Chemical Property Profile of 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium
Property Insights of 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium
The XLogP value of 2.3673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium. The TPSA of 73.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium. Following Lipinski's Rule of Five, 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium has 0 hydrogen bond donor(s) and 4 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-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium?
The CAS number of 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium is 93898-54-5.
What is the molecular formula of 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium?
The molecular formula of 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium is C15H17N3O3.
What is the molecular weight of 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium?
The molecular weight of 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium is 287.13 g/mol.
Where can I buy 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium?
You can request a quote for 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.