3-tert-Butyl-5-phenylisoxazole
TL;DR: 3-tert-Butyl-5-phenylisoxazole (CAS 52560-40-4) is a chemical compound with molecular formula C13H15NO and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-5-phenyl-1,2-oxazole
Also Known As: 3-tert-Butyl-5-phenylisoxazole, 3-tert-butyl-5-phenyl-isoxazole, 3-tert-butyl-5-phenyl-1,2-oxazole, 3-tert-Butyl-5-phenylisoxazole #, 5-PHENYL-3-TERT-BUTYLISOXAZOLE
| Molecular Formula | C13H15NO |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.11537 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 52560-40-4 |
|---|---|
| SMILES | CC(C)(C)C1=NOC(=C1)C2=CC=CC=C2 |
| InChIKey | FFXALRLKJNPHJE-UHFFFAOYSA-N |
Product Overview
3-tert-Butyl-5-phenylisoxazole (CAS 52560-40-4), with molecular formula C13H15NO and molecular weight 201.12 g/mol. IUPAC: 3-tert-butyl-5-phenyl-1,2-oxazole.
Chemical Property Profile of 3-tert-Butyl-5-phenylisoxazole
Property Insights of 3-tert-Butyl-5-phenylisoxazole
The XLogP value of 3.7 indicates that 3-tert-Butyl-5-phenylisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-tert-Butyl-5-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butyl-5-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 3-tert-Butyl-5-phenylisoxazole?
The CAS number of 3-tert-Butyl-5-phenylisoxazole is 52560-40-4.
What is the molecular formula of 3-tert-Butyl-5-phenylisoxazole?
The molecular formula of 3-tert-Butyl-5-phenylisoxazole is C13H15NO.
What is the molecular weight of 3-tert-Butyl-5-phenylisoxazole?
The molecular weight of 3-tert-Butyl-5-phenylisoxazole is 201.12 g/mol.
Where can I buy 3-tert-Butyl-5-phenylisoxazole?
You can request a quote for 3-tert-Butyl-5-phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butyl-5-phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butyl-5-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.