![5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide structure](/static/products/330/330982-48-4.png)
5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide
TL;DR: 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide (CAS 330982-48-4) is a chemical compound with molecular formula C6H7N3O3 and molecular weight 169.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-5,6,7,8-tetrahydro-[1,2,5]oxadiazolo[3,4-c]azepin-1-ium-4-one
Also Known As: BAS 00318847, 1-Oxy-5,6,7,8-tetrahydro-[1,2,5]oxadiazolo[3,4-c]azepin-4-one, A1225/0056502, 1-oxido-5,6,7,8-tetrahydro-[1,2,5]oxadiazolo[3,4-c]azepin-1-ium-4-one, 4-oxo-5,6,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepine 1-oxide
| Molecular Formula | C6H7N3O3 |
|---|---|
| Molecular Weight | 169.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.04874 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 330982-48-4 |
|---|---|
| SMILES | C1CC2=[N+](ON=C2C(=O)NC1)[O-] |
| InChIKey | DLNXQWKSSBBFKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide (CAS 330982-48-4), with molecular formula C6H7N3O3 and molecular weight 169.05 g/mol. IUPAC: 1-oxido-5,6,7,8-tetrahydro-[1,2,5]oxadiazolo[3,4-c]azepin-1-ium-4-one.
Chemical Property Profile of 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide
Property Insights of 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide has 1 hydrogen bond donor(s) and 4 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 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide?
The CAS number of 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide is 330982-48-4.
What is the molecular formula of 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide?
The molecular formula of 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide is C6H7N3O3.
What is the molecular weight of 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide?
The molecular weight of 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide is 169.05 g/mol.
Where can I buy 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide?
You can request a quote for 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-c]azepin-4-one 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.