1,3-Oxazinan-2-one
TL;DR: 1,3-Oxazinan-2-one (CAS 5259-97-2) is a chemical compound with molecular formula C4H7NO2 and molecular weight 101.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-oxazinan-2-one
Also Known As: 1,3-oxazinan-2-one, null, trimethylene urethane, Urapidil Impurity 72, [1,3]oxazinan-2-one
| Molecular Formula | C4H7NO2 |
|---|---|
| Molecular Weight | 101.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 101.047676 |
| Heavy Atoms | 7 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 5259-97-2 |
|---|---|
| SMILES | C1CNC(=O)OC1 |
| InChIKey | OYELEBBISJGNHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Oxazinan-2-one (CAS 5259-97-2), with molecular formula C4H7NO2 and molecular weight 101.05 g/mol. IUPAC: 1,3-oxazinan-2-one.
Chemical Property Profile of 1,3-Oxazinan-2-one
Property Insights of 1,3-Oxazinan-2-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxazinan-2-one. With a topological polar surface area (TPSA) of 38.3 Ų, 1,3-Oxazinan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Oxazinan-2-one has 1 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 1,3-Oxazinan-2-one?
The CAS number of 1,3-Oxazinan-2-one is 5259-97-2.
What is the molecular formula of 1,3-Oxazinan-2-one?
The molecular formula of 1,3-Oxazinan-2-one is C4H7NO2.
What is the molecular weight of 1,3-Oxazinan-2-one?
The molecular weight of 1,3-Oxazinan-2-one is 101.05 g/mol.
Where can I buy 1,3-Oxazinan-2-one?
You can request a quote for 1,3-Oxazinan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Oxazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.