5(2H)-Isoxazolone
TL;DR: 5(2H)-Isoxazolone (CAS 1072-48-6) is a chemical compound with molecular formula C3H3NO2 and molecular weight 85.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-1,2-oxazol-5-one
Also Known As: Isoxazolin-5-one, 5-Isoxazolol, isoxazol-5-ol, isoxazolone, Isoxazol-5(2H)-one
| Molecular Formula | C3H3NO2 |
|---|---|
| Molecular Weight | 85.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 85.01638 |
| Heavy Atoms | 6 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 1072-48-6 |
|---|---|
| SMILES | C1=CNOC1=O |
| InChIKey | HZVPJXOQDCOJRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5(2H)-Isoxazolone (CAS 1072-48-6), with molecular formula C3H3NO2 and molecular weight 85.02 g/mol. IUPAC: 2H-1,2-oxazol-5-one.
Chemical Property Profile of 5(2H)-Isoxazolone
Property Insights of 5(2H)-Isoxazolone
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(2H)-Isoxazolone. With a topological polar surface area (TPSA) of 38.3 Ų, 5(2H)-Isoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5(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(2H)-Isoxazolone?
The CAS number of 5(2H)-Isoxazolone is 1072-48-6.
What is the molecular formula of 5(2H)-Isoxazolone?
The molecular formula of 5(2H)-Isoxazolone is C3H3NO2.
What is the molecular weight of 5(2H)-Isoxazolone?
The molecular weight of 5(2H)-Isoxazolone is 85.02 g/mol.
Where can I buy 5(2H)-Isoxazolone?
You can request a quote for 5(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(2H)-Isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 5(2H)-Isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.