3(2H)-Isoxazolone, 5-phenyl-
TL;DR: 3(2H)-Isoxazolone, 5-phenyl- (CAS 939-05-9) 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.
5-phenyl-1,2-oxazol-3-one
Also Known As: 5-phenylisoxazol-3-ol, 5-phenyl-1,2-oxazol-3-ol, 5-phenylisoxazol-3(2H)-one, 3-hydroxy-5-phenylisoxazole, 5-Phenyl-3(2H)-isoxazolone
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 939-05-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)NO2 |
| InChIKey | AFVFIJAYAFTQRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3(2H)-Isoxazolone, 5-phenyl- (CAS 939-05-9), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 5-phenyl-1,2-oxazol-3-one.
Chemical Property Profile of 3(2H)-Isoxazolone, 5-phenyl-
Property Insights of 3(2H)-Isoxazolone, 5-phenyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Isoxazolone, 5-phenyl-. With a topological polar surface area (TPSA) of 38.3 Ų, 3(2H)-Isoxazolone, 5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Isoxazolone, 5-phenyl- 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 3(2H)-Isoxazolone, 5-phenyl-?
The CAS number of 3(2H)-Isoxazolone, 5-phenyl- is 939-05-9.
What is the molecular formula of 3(2H)-Isoxazolone, 5-phenyl-?
The molecular formula of 3(2H)-Isoxazolone, 5-phenyl- is C9H7NO2.
What is the molecular weight of 3(2H)-Isoxazolone, 5-phenyl-?
The molecular weight of 3(2H)-Isoxazolone, 5-phenyl- is 161.05 g/mol.
Where can I buy 3(2H)-Isoxazolone, 5-phenyl-?
You can request a quote for 3(2H)-Isoxazolone, 5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Isoxazolone, 5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isoxazolone, 5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.