3-Acetyloxazol-2(3H)-one
TL;DR: 3-Acetyloxazol-2(3H)-one (CAS 60759-49-1) is a chemical compound with molecular formula C5H5NO3 and molecular weight 127.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1,3-oxazol-2-one
Also Known As: 3-Acetyloxazol-2(3H)-one, 3-acetyl-1,3-oxazol-2-one, 3-Acetyloxazolin-2-one, 3-acetyloxazol-2-one, 3-Acetyl-2 -oxazolone
| Molecular Formula | C5H5NO3 |
|---|---|
| Molecular Weight | 127.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.02694 |
| Heavy Atoms | 9 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 60759-49-1 |
|---|---|
| SMILES | CC(=O)N1C=COC1=O |
| InChIKey | VIGLDWMUCWLDBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetyloxazol-2(3H)-one (CAS 60759-49-1), with molecular formula C5H5NO3 and molecular weight 127.03 g/mol. IUPAC: 3-acetyl-1,3-oxazol-2-one.
Chemical Property Profile of 3-Acetyloxazol-2(3H)-one
Property Insights of 3-Acetyloxazol-2(3H)-one
The XLogP value of -0.3 indicates that 3-Acetyloxazol-2(3H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.6 Ų, 3-Acetyloxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyloxazol-2(3H)-one has 0 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 3-Acetyloxazol-2(3H)-one?
The CAS number of 3-Acetyloxazol-2(3H)-one is 60759-49-1.
What is the molecular formula of 3-Acetyloxazol-2(3H)-one?
The molecular formula of 3-Acetyloxazol-2(3H)-one is C5H5NO3.
What is the molecular weight of 3-Acetyloxazol-2(3H)-one?
The molecular weight of 3-Acetyloxazol-2(3H)-one is 127.03 g/mol.
Where can I buy 3-Acetyloxazol-2(3H)-one?
You can request a quote for 3-Acetyloxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyloxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyloxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.