6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium
TL;DR: 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium (CAS 61785-82-8) is a chemical compound with molecular formula C11H12N4O4 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium
Also Known As: Benzofurazan, 1-oxide, NCI60_001860, 6-nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium, 5-Nitro-1-oxo-6-(piperidin-1-yl)-2,1lambda~5~,3-benzoxadiazole
| Molecular Formula | C11H12N4O4 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.08585 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 61785-82-8 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC3=[N+](ON=C3C=C2[N+](=O)[O-])[O-] |
| InChIKey | JVZAGLAAFBGAEY-UHFFFAOYSA-N |
Product Overview
6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium (CAS 61785-82-8), with molecular formula C11H12N4O4 and molecular weight 264.09 g/mol. IUPAC: 6-nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium
Property Insights of 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium. Following Lipinski's Rule of Five, 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium has 0 hydrogen bond donor(s) and 6 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-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium?
The CAS number of 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium is 61785-82-8.
What is the molecular formula of 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium?
The molecular formula of 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium is C11H12N4O4.
What is the molecular weight of 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium?
The molecular weight of 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium is 264.09 g/mol.
Where can I buy 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium?
You can request a quote for 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.