3-Phenyl-5-isoxazolone
TL;DR: 3-Phenyl-5-isoxazolone (CAS 1076-59-1) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4H-1,2-oxazol-5-one
Also Known As: 3-Phenyl-5-isoxazolone, 3-phenylisoxazol-5(4h)-one, 5(4H)-Isoxazolone, 3-phenyl-, 3-Phenyl-5(4H)-isoxazolone, 3-Phenyl-2-isoxazolin-5-one
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 1076-59-1 |
|---|---|
| SMILES | C1C(=NOC1=O)C2=CC=CC=C2 |
| InChIKey | IHKNLPPRTQQACK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-5-isoxazolone (CAS 1076-59-1), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 3-phenyl-4H-1,2-oxazol-5-one.
Chemical Property Profile of 3-Phenyl-5-isoxazolone
Property Insights of 3-Phenyl-5-isoxazolone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-5-isoxazolone. With a topological polar surface area (TPSA) of 38.7 Ų, 3-Phenyl-5-isoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-5-isoxazolone 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-Phenyl-5-isoxazolone?
The CAS number of 3-Phenyl-5-isoxazolone is 1076-59-1.
What is the molecular formula of 3-Phenyl-5-isoxazolone?
The molecular formula of 3-Phenyl-5-isoxazolone is C9H7NO2.
What is the molecular weight of 3-Phenyl-5-isoxazolone?
The molecular weight of 3-Phenyl-5-isoxazolone is 161.05 g/mol.
Where can I buy 3-Phenyl-5-isoxazolone?
You can request a quote for 3-Phenyl-5-isoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-5-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.