5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole
TL;DR: 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 39132-77-9) is a chemical compound with molecular formula C8H8N2O2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 5,6-dimethylbenzofurazan N-oxide, 5,6-Dimethylbenzofurazane 1-oxide, 5,6-dimethyl-3-oxido-2,1,3-benzoxadiazol-3-ium, 5,6-dimethyl-2,1,3-benzoxadiazole 1-oxide, 5,6-Dimethyl-2,1,3-benzooxadiazole 1-oxide
| Molecular Formula | C8H8N2O2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.05858 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 39132-77-9 |
|---|---|
| SMILES | CC1=CC2=NO[N+](=C2C=C1C)[O-] |
| InChIKey | YNVKVZHZPNWXSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 39132-77-9), with molecular formula C8H8N2O2 and molecular weight 164.06 g/mol. IUPAC: 5,6-dimethyl-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole
Property Insights of 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole. With a topological polar surface area (TPSA) of 51.5 Ų, 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole has 0 hydrogen bond donor(s) and 3 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 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The CAS number of 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole is 39132-77-9.
What is the molecular formula of 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The molecular formula of 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole is C8H8N2O2.
What is the molecular weight of 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The molecular weight of 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole is 164.06 g/mol.
Where can I buy 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole?
You can request a quote for 5,6-Dimethyl-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 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dimethyl-1-oxo-2,1lambda~5~,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.