![6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium structure](/static/products/6178/61785-83-9.webp)
6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium
TL;DR: 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium (CAS 61785-83-9) is a chemical compound with molecular formula C16H12N8O8 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium, 6,6'-(Piperazine-1,4-diyl)bis(5-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole)
| Molecular Formula | C16H12N8O8 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.07782 |
| Heavy Atoms | 32 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 61785-83-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC3=[N+](ON=C3C=C2[N+](=O)[O-])[O-])C4=CC5=[N+](ON=C5C=C4[N+](=O)[O-])[O-] |
| InChIKey | RCFYYDDGRBYBPR-UHFFFAOYSA-N |
Product Overview
6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium (CAS 61785-83-9), with molecular formula C16H12N8O8 and molecular weight 444.08 g/mol. IUPAC: 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium
Property Insights of 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium. The TPSA of 201.0 Ų indicates high polarity, suggesting 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium?
The CAS number of 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium is 61785-83-9.
What is the molecular formula of 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium?
The molecular formula of 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium is C16H12N8O8.
What is the molecular weight of 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium?
The molecular weight of 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium is 444.08 g/mol.
Where can I buy 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium?
You can request a quote for 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-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-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 6-nitro-5-[4-(6-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.