5-((Dimethylamino)methyl)-3(2H)-isoxazolone
TL;DR: 5-((Dimethylamino)methyl)-3(2H)-isoxazolone (CAS 58728-65-7) is a chemical compound with molecular formula C6H10N2O2 and molecular weight 142.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(dimethylamino)methyl]-1,2-oxazol-3-one
Also Known As: N,N-Dimethylmuscimol, 5-[(dimethylamino)methyl]-1,2-oxazol-3-one, 5-((Dimethylamino)methyl)-3(2H)-isoxazolone, 5-(dimethylaminomethyl)-1,2-oxazol-3-one, 3(2H)-Isoxazolone, 5-((dimethylamino)methyl)-
| Molecular Formula | C6H10N2O2 |
|---|---|
| Molecular Weight | 142.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.07423 |
| Heavy Atoms | 10 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 58728-65-7 |
|---|---|
| SMILES | CN(C)CC1=CC(=O)NO1 |
| InChIKey | DWKOKEYCCADQEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-((Dimethylamino)methyl)-3(2H)-isoxazolone (CAS 58728-65-7), with molecular formula C6H10N2O2 and molecular weight 142.07 g/mol. IUPAC: 5-[(dimethylamino)methyl]-1,2-oxazol-3-one.
Chemical Property Profile of 5-((Dimethylamino)methyl)-3(2H)-isoxazolone
Property Insights of 5-((Dimethylamino)methyl)-3(2H)-isoxazolone
The XLogP value of -0.4 indicates that 5-((Dimethylamino)methyl)-3(2H)-isoxazolone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.6 Ų, 5-((Dimethylamino)methyl)-3(2H)-isoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((Dimethylamino)methyl)-3(2H)-isoxazolone has 1 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 5-((Dimethylamino)methyl)-3(2H)-isoxazolone?
The CAS number of 5-((Dimethylamino)methyl)-3(2H)-isoxazolone is 58728-65-7.
What is the molecular formula of 5-((Dimethylamino)methyl)-3(2H)-isoxazolone?
The molecular formula of 5-((Dimethylamino)methyl)-3(2H)-isoxazolone is C6H10N2O2.
What is the molecular weight of 5-((Dimethylamino)methyl)-3(2H)-isoxazolone?
The molecular weight of 5-((Dimethylamino)methyl)-3(2H)-isoxazolone is 142.07 g/mol.
Where can I buy 5-((Dimethylamino)methyl)-3(2H)-isoxazolone?
You can request a quote for 5-((Dimethylamino)methyl)-3(2H)-isoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((Dimethylamino)methyl)-3(2H)-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 5-((Dimethylamino)methyl)-3(2H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.