3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE
TL;DR: 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE (CAS 179461-35-9) is a chemical compound with molecular formula C19H27NO4 and molecular weight 333.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate
Also Known As: 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE, Acetic acid 3-(3,5-di-tert-butyl-4-hydroxy-phenyl)-4,5-dihydro-isoxazol-5-yl ester, 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl acetate, [3-(3,5-ditert-butyl-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate, [3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl] acetate
| Molecular Formula | C19H27NO4 |
|---|---|
| Molecular Weight | 333.19 g/mol |
| LogP | 4.0008 |
| Topological Polar Surface Area | 68.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.194 |
| Heavy Atoms | 24 |
| Complexity | 642.5828 |
Chemical Identifiers
| CAS Number | 179461-35-9 |
|---|---|
| SMILES | CC(=O)OC1CC(=NO1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C |
Product Overview
3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE (CAS 179461-35-9), with molecular formula C19H27NO4 and molecular weight 333.19 g/mol. IUPAC: [3-(3,5-ditert-butyl-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate.
Chemical Property Profile of 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE
Property Insights of 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE
The XLogP value of 4.0008 indicates that 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE. Following Lipinski's Rule of Five, 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE has 1 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-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE?
The CAS number of 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE is 179461-35-9.
What is the molecular formula of 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE?
The molecular formula of 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE is C19H27NO4.
What is the molecular weight of 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE?
The molecular weight of 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE is 333.19 g/mol.
Where can I buy 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE?
You can request a quote for 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.