2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol
TL;DR: 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol (CAS 179461-34-8) is a chemical compound with molecular formula C23H29NO2 and molecular weight 351.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol
Also Known As: 2,6-di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol, 2,6-ditert-butyl-4-(5-phenyl-1,2-oxazolidin-3-ylidene)cyclohexa-2,5-dien-1-one
| Molecular Formula | C23H29NO2 |
|---|---|
| Molecular Weight | 351.22 g/mol |
| LogP | 5.8529 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.21982 |
| Heavy Atoms | 26 |
| Complexity | 788.5168 |
Chemical Identifiers
| CAS Number | 179461-34-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NOC(C2)C3=CC=CC=C3 |
Product Overview
2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol (CAS 179461-34-8), with molecular formula C23H29NO2 and molecular weight 351.22 g/mol. IUPAC: 2,6-ditert-butyl-4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol.
Chemical Property Profile of 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol
Property Insights of 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol
The XLogP value of 5.8529 indicates that 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.82 Ų, 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol?
The CAS number of 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol is 179461-34-8.
What is the molecular formula of 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol?
The molecular formula of 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol is C23H29NO2.
What is the molecular weight of 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol?
The molecular weight of 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol is 351.22 g/mol.
Where can I buy 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol?
You can request a quote for 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di-tert-butyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.