![4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one structure](/static/products/677/677302-07-7.png)
4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one
TL;DR: 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one (CAS 677302-07-7) is a chemical compound with molecular formula C21H14INO3S and molecular weight 486.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
Also Known As: 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one, (4Z)-4-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one, (4Z)-4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
| Molecular Formula | C21H14INO3S |
|---|---|
| Molecular Weight | 486.97 g/mol |
| LogP | 5.2762 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.9739 |
| Heavy Atoms | 27 |
| Complexity | 1023.845 |
Chemical Identifiers
| CAS Number | 677302-07-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)OC(=N2)C3=CC=CS3)OCC4=CC=C(C=C4)I |
Product Overview
4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one (CAS 677302-07-7), with molecular formula C21H14INO3S and molecular weight 486.97 g/mol. IUPAC: (4Z)-4-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one.
Chemical Property Profile of 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one
Property Insights of 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one
The XLogP value of 5.2762 indicates that 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-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 47.89 Ų, 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one?
The CAS number of 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one is 677302-07-7.
What is the molecular formula of 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one?
The molecular formula of 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one is C21H14INO3S.
What is the molecular weight of 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one?
The molecular weight of 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one is 486.97 g/mol.
Where can I buy 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one?
You can request a quote for 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-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-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(4-iodobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.