4-Phenylisoxazole
TL;DR: 4-Phenylisoxazole (CAS 2439-92-1) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-1,2-oxazole
Also Known As: 4-Phenylisoxazole, 4-phenyl-1,2-oxazole, null, Isoxazole, 4-phenyl-, 4-phenyl-isoxazole
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 2.3416 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.05276 |
| Heavy Atoms | 11 |
| Complexity | 312.5535 |
Chemical Identifiers
| CAS Number | 2439-92-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CON=C2 |
Product Overview
4-Phenylisoxazole (CAS 2439-92-1), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: 4-phenyl-1,2-oxazole.
Chemical Property Profile of 4-Phenylisoxazole
Property Insights of 4-Phenylisoxazole
The XLogP value of 2.3416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenylisoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 4-Phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylisoxazole has 0 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 4-Phenylisoxazole?
The CAS number of 4-Phenylisoxazole is 2439-92-1.
What is the molecular formula of 4-Phenylisoxazole?
The molecular formula of 4-Phenylisoxazole is C9H7NO.
What is the molecular weight of 4-Phenylisoxazole?
The molecular weight of 4-Phenylisoxazole is 145.05 g/mol.
Where can I buy 4-Phenylisoxazole?
You can request a quote for 4-Phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.