3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester
TL;DR: 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester (CAS 35145-87-0) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 5-phenyl-1,2-oxazole-3-carboperoxoate
Also Known As: tert-butyl 5-phenyl-1,2-oxazole-3-carboperoxoate, tert-Butyl 5-phenyl-3-isoxazolecarboperoxoate, tert-Butyl 5-phenyl-3-isoxazolecarboperoxoate #, 5-Phenyl-3-isoxazoleperoxycarboxylicacid1,1-dimethylethylester, 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 35145-87-0 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)C1=NOC(=C1)C2=CC=CC=C2 |
| InChIKey | BJFWUSZVTJOZGA-UHFFFAOYSA-N |
Product Overview
3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester (CAS 35145-87-0), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: tert-butyl 5-phenyl-1,2-oxazole-3-carboperoxoate.
Chemical Property Profile of 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester
Property Insights of 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester
The XLogP value of 3.2 indicates that 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester. Following Lipinski's Rule of Five, 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester has 0 hydrogen bond donor(s) and 5 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-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester?
The CAS number of 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester is 35145-87-0.
What is the molecular formula of 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester?
The molecular formula of 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester is C14H15NO4.
What is the molecular weight of 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester?
The molecular weight of 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester is 261.10 g/mol.
Where can I buy 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester?
You can request a quote for 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.