5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
TL;DR: 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 18771-86-3) is a chemical compound with molecular formula C6H3N3O4 and molecular weight 181.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium
Also Known As: 5-nitrobenzofuroxan, 5-nitrobenzofurazan 1-oxide, 5-Nitrobenzofurazane 1-oxide, 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole, 5-Nitro-2,1,3-benzooxadiazole 1-oxide
| Molecular Formula | C6H3N3O4 |
|---|---|
| Molecular Weight | 181.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.01236 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 18771-86-3 |
|---|---|
| SMILES | C1=CC2=[N+](ON=C2C=C1[N+](=O)[O-])[O-] |
| InChIKey | YWNYYXHJVPPICD-UHFFFAOYSA-N |
Product Overview
5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 18771-86-3), with molecular formula C6H3N3O4 and molecular weight 181.01 g/mol. IUPAC: 5-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium.
Chemical Property Profile of 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
Property Insights of 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole. Following Lipinski's Rule of Five, 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole has 0 hydrogen bond donor(s) and 5 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 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The CAS number of 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is 18771-86-3.
What is the molecular formula of 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The molecular formula of 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is C6H3N3O4.
What is the molecular weight of 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The molecular weight of 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is 181.01 g/mol.
Where can I buy 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
You can request a quote for 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.