4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one
TL;DR: 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one (CAS 331659-46-2) is a chemical compound with molecular formula C24H26INO3 and molecular weight 503.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
Also Known As: BAS 00384406, 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one, (4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one, 4-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-2-(4-iodo-phenyl)-4H-oxazol-5-one
| Molecular Formula | C24H26INO3 |
|---|---|
| Molecular Weight | 503.10 g/mol |
| LogP | 5.9363 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 503.09573 |
| Heavy Atoms | 29 |
| Complexity | 984.5669 |
Chemical Identifiers
| CAS Number | 331659-46-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)I |
Product Overview
4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one (CAS 331659-46-2), with molecular formula C24H26INO3 and molecular weight 503.10 g/mol. IUPAC: (4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one
Property Insights of 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one
The XLogP value of 5.9363 indicates that 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.89 Ų, 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one?
The CAS number of 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one is 331659-46-2.
What is the molecular formula of 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one?
The molecular formula of 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one is C24H26INO3.
What is the molecular weight of 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one?
The molecular weight of 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one is 503.10 g/mol.
Where can I buy 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one?
You can request a quote for 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.