Tetrahydro-4H-1,3,5-oxadiazin-4-one
TL;DR: Tetrahydro-4H-1,3,5-oxadiazin-4-one (CAS 542-29-0) is a chemical compound with molecular formula C3H6N2O2 and molecular weight 102.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-oxadiazinan-4-one
Also Known As: 1,3,5-oxadiazinan-4-one, Tetrahydro-4H-1,3,5-oxadiazin-4-one, [1,3,5]oxadiazinan-4-one, 4H-1,3,5-oxadiazin-4-one, tetrahydro-, 4H-1,3,5-Oxadiazin-4-one,tetrahydro-
| Molecular Formula | C3H6N2O2 |
|---|---|
| Molecular Weight | 102.04 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 102.04293 |
| Heavy Atoms | 7 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 542-29-0 |
|---|---|
| SMILES | C1NC(=O)NCO1 |
| InChIKey | LYBCPJIYBPKTHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrahydro-4H-1,3,5-oxadiazin-4-one (CAS 542-29-0), with molecular formula C3H6N2O2 and molecular weight 102.04 g/mol. IUPAC: 1,3,5-oxadiazinan-4-one.
Chemical Property Profile of Tetrahydro-4H-1,3,5-oxadiazin-4-one
Property Insights of Tetrahydro-4H-1,3,5-oxadiazin-4-one
The XLogP value of -0.8 indicates that Tetrahydro-4H-1,3,5-oxadiazin-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.4 Ų, Tetrahydro-4H-1,3,5-oxadiazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydro-4H-1,3,5-oxadiazin-4-one has 2 hydrogen bond donor(s) and 2 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 Tetrahydro-4H-1,3,5-oxadiazin-4-one?
The CAS number of Tetrahydro-4H-1,3,5-oxadiazin-4-one is 542-29-0.
What is the molecular formula of Tetrahydro-4H-1,3,5-oxadiazin-4-one?
The molecular formula of Tetrahydro-4H-1,3,5-oxadiazin-4-one is C3H6N2O2.
What is the molecular weight of Tetrahydro-4H-1,3,5-oxadiazin-4-one?
The molecular weight of Tetrahydro-4H-1,3,5-oxadiazin-4-one is 102.04 g/mol.
Where can I buy Tetrahydro-4H-1,3,5-oxadiazin-4-one?
You can request a quote for Tetrahydro-4H-1,3,5-oxadiazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydro-4H-1,3,5-oxadiazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydro-4H-1,3,5-oxadiazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.