2-Phenyl-3,5-isoxazolidinedione
TL;DR: 2-Phenyl-3,5-isoxazolidinedione (CAS 53278-45-8) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,2-oxazolidine-3,5-dione
Also Known As: 2-Phenyl-3,5-isoxazolidinedione, 2-Phenylisoxazolidine-3,5-dione, 2-phenyl-1,2-oxazolidine-3,5-dione, 3,5-Isoxazolidinedione, 2-phenyl-, 2-Phenyl-3,5-dioxoisoxazolidin
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 53278-45-8 |
|---|---|
| SMILES | C1C(=O)N(OC1=O)C2=CC=CC=C2 |
| InChIKey | KCDSBPHPBGFCGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-3,5-isoxazolidinedione (CAS 53278-45-8), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 2-phenyl-1,2-oxazolidine-3,5-dione.
Chemical Property Profile of 2-Phenyl-3,5-isoxazolidinedione
Property Insights of 2-Phenyl-3,5-isoxazolidinedione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-3,5-isoxazolidinedione. With a topological polar surface area (TPSA) of 46.6 Ų, 2-Phenyl-3,5-isoxazolidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-3,5-isoxazolidinedione 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 2-Phenyl-3,5-isoxazolidinedione?
The CAS number of 2-Phenyl-3,5-isoxazolidinedione is 53278-45-8.
What is the molecular formula of 2-Phenyl-3,5-isoxazolidinedione?
The molecular formula of 2-Phenyl-3,5-isoxazolidinedione is C9H7NO3.
What is the molecular weight of 2-Phenyl-3,5-isoxazolidinedione?
The molecular weight of 2-Phenyl-3,5-isoxazolidinedione is 177.04 g/mol.
Where can I buy 2-Phenyl-3,5-isoxazolidinedione?
You can request a quote for 2-Phenyl-3,5-isoxazolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-3,5-isoxazolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-3,5-isoxazolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.