4-Nitrobenzo-2-oxa-1,3-diazole
TL;DR: 4-Nitrobenzo-2-oxa-1,3-diazole (CAS 16322-19-3) is a chemical compound with molecular formula C6H3N3O3 and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2,1,3-benzoxadiazole
Also Known As: 4-Nitrobenzofurazan, 4-Nitro-2,1,3-benzoxadiazole, 4-Nitro-benzofurazan, nitrobenzofurazan, BENZOFURAZAN, 4-NITRO-
| Molecular Formula | C6H3N3O3 |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.01744 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 16322-19-3 |
|---|---|
| SMILES | C1=CC2=NON=C2C(=C1)[N+](=O)[O-] |
| InChIKey | ZCVAGTPWBAZXAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzo-2-oxa-1,3-diazole (CAS 16322-19-3), with molecular formula C6H3N3O3 and molecular weight 165.02 g/mol. IUPAC: 4-nitro-2,1,3-benzoxadiazole.
Chemical Property Profile of 4-Nitrobenzo-2-oxa-1,3-diazole
Property Insights of 4-Nitrobenzo-2-oxa-1,3-diazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzo-2-oxa-1,3-diazole. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzo-2-oxa-1,3-diazole. Following Lipinski's Rule of Five, 4-Nitrobenzo-2-oxa-1,3-diazole 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 4-Nitrobenzo-2-oxa-1,3-diazole?
The CAS number of 4-Nitrobenzo-2-oxa-1,3-diazole is 16322-19-3.
What is the molecular formula of 4-Nitrobenzo-2-oxa-1,3-diazole?
The molecular formula of 4-Nitrobenzo-2-oxa-1,3-diazole is C6H3N3O3.
What is the molecular weight of 4-Nitrobenzo-2-oxa-1,3-diazole?
The molecular weight of 4-Nitrobenzo-2-oxa-1,3-diazole is 165.02 g/mol.
Where can I buy 4-Nitrobenzo-2-oxa-1,3-diazole?
You can request a quote for 4-Nitrobenzo-2-oxa-1,3-diazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzo-2-oxa-1,3-diazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzo-2-oxa-1,3-diazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.