2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide
TL;DR: 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide (CAS 3702-88-3) 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-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 5-nitrobenzofuroxan, 6-nitrobenzofuroxane, 5-Nitrobenzofurazane 3-oxide, 6-Nitrobenzofurazane 1-oxide, 2,1,3-Benzoxadiazole, 5-nitro-, 3-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 | 3702-88-3 |
|---|---|
| SMILES | C1=CC2=NO[N+](=C2C=C1[N+](=O)[O-])[O-] |
| InChIKey | HZJXIOCJWZTHSY-UHFFFAOYSA-N |
Product Overview
2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide (CAS 3702-88-3), with molecular formula C6H3N3O4 and molecular weight 181.01 g/mol. IUPAC: 5-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide
Property Insights of 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide. Following Lipinski's Rule of Five, 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide 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 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide?
The CAS number of 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide is 3702-88-3.
What is the molecular formula of 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide?
The molecular formula of 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide is C6H3N3O4.
What is the molecular weight of 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide?
The molecular weight of 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide is 181.01 g/mol.
Where can I buy 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide?
You can request a quote for 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzoxadiazole, 5-nitro-, 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.