6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one
TL;DR: 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one (CAS 142328-06-1) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dihydro-5H-2,1,3-benzoxadiazol-4-one
Also Known As: 4,5,6,7-Tetrahydro-2,1,3-benzoxadiazol-4-one, 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one, 6,7-Dihydrobenzo[c][1,2,5]oxadiazol-4(5H)-one, 6,7-dihydro-5H-2,1,3-benzoxadiazol-4-one, 6,7-Dihydro-5H-benzo[1,2,5]oxadiazol-4-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.04292 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.04292 Da |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
| SMILES | C1CC2=NON=C2C(=O)C1 |
| InChIKey | YONIOJQXOFZEDM-UHFFFAOYSA-N |
Chemical Property Profile of 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one
Property Insights of 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one. With a topological polar surface area (TPSA) of 56.0 Ų, 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one?
The CAS number of 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one is 142328-06-1.
What is the molecular formula of 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one?
The molecular formula of 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one is C6H6N2O2.
What is the molecular weight of 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one?
The molecular weight of 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one is 138.04292 g/mol.
Where can I buy 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one?
You can request a quote for 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one?
Yes, CoreyChem provides custom synthesis services for 6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.