5-Phenylisoxazoline
TL;DR: 5-Phenylisoxazoline (CAS 1006-66-2) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-4,5-dihydro-1,2-oxazole
Also Known As: 5-Phenylisoxazoline, 5-Phenyl-2-isoxazoline, 5-phenyl-4,5-dihydro-1,2-oxazole, 4,5-Dihydro-5-phenylisoxazole, 5-Phenyl-4,5-dihydroisoxazole
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 1006-66-2 |
|---|---|
| SMILES | C1C=NOC1C2=CC=CC=C2 |
| InChIKey | UYOWAKYOTZHBRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenylisoxazoline (CAS 1006-66-2), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 5-phenyl-4,5-dihydro-1,2-oxazole.
Chemical Property Profile of 5-Phenylisoxazoline
Property Insights of 5-Phenylisoxazoline
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenylisoxazoline. With a topological polar surface area (TPSA) of 21.6 Ų, 5-Phenylisoxazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenylisoxazoline 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 5-Phenylisoxazoline?
The CAS number of 5-Phenylisoxazoline is 1006-66-2.
What is the molecular formula of 5-Phenylisoxazoline?
The molecular formula of 5-Phenylisoxazoline is C9H9NO.
What is the molecular weight of 5-Phenylisoxazoline?
The molecular weight of 5-Phenylisoxazoline is 147.07 g/mol.
Where can I buy 5-Phenylisoxazoline?
You can request a quote for 5-Phenylisoxazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenylisoxazoline?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenylisoxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.