1,2,4-Oxadiazinane-3,5-dione
TL;DR: 1,2,4-Oxadiazinane-3,5-dione (CAS 5766-95-0) is a chemical compound with molecular formula C3H4N2O3 and molecular weight 116.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-oxadiazinane-3,5-dione
Also Known As: 1,2,4-oxadiazinane-3,5-dione, [1,2,4]oxadiazinane-3,5-dione, 2H-1,2,4-Oxadiazine-3,5(4H,6H)-dione, 6H-1,2,4-oxadiazin-3,5(2H,4H)-dione, 3-hydroxy-2H-1,2,4-oxadiazin-5(6H)-one
| Molecular Formula | C3H4N2O3 |
|---|---|
| Molecular Weight | 116.02 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.022194 |
| Heavy Atoms | 8 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 5766-95-0 |
|---|---|
| SMILES | C1C(=O)NC(=O)NO1 |
| InChIKey | QCDKMJWIBJTRPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Oxadiazinane-3,5-dione (CAS 5766-95-0), with molecular formula C3H4N2O3 and molecular weight 116.02 g/mol. IUPAC: 1,2,4-oxadiazinane-3,5-dione.
Chemical Property Profile of 1,2,4-Oxadiazinane-3,5-dione
Property Insights of 1,2,4-Oxadiazinane-3,5-dione
The XLogP value of -1.0 indicates that 1,2,4-Oxadiazinane-3,5-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Oxadiazinane-3,5-dione. Following Lipinski's Rule of Five, 1,2,4-Oxadiazinane-3,5-dione has 2 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 1,2,4-Oxadiazinane-3,5-dione?
The CAS number of 1,2,4-Oxadiazinane-3,5-dione is 5766-95-0.
What is the molecular formula of 1,2,4-Oxadiazinane-3,5-dione?
The molecular formula of 1,2,4-Oxadiazinane-3,5-dione is C3H4N2O3.
What is the molecular weight of 1,2,4-Oxadiazinane-3,5-dione?
The molecular weight of 1,2,4-Oxadiazinane-3,5-dione is 116.02 g/mol.
Where can I buy 1,2,4-Oxadiazinane-3,5-dione?
You can request a quote for 1,2,4-Oxadiazinane-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Oxadiazinane-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Oxadiazinane-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.