![4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone structure](/static/products/930/93087-37-7.png)
4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone
TL;DR: 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone (CAS 93087-37-7) is a chemical compound with molecular formula C13H9I2NO4 and molecular weight 496.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-diiodo-4-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
Also Known As: (E/Z Mixture), 4-(4-ACETOXY-3,5-DIIODOBENZAL)-2-METHYL-5-OXAZOLENE, [2,6-diiodo-4-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] Acetate, 5(4H)-Oxazolone,4-[[4-(acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl, (E)-2,6-diiodo-4-((2-methyl-5-oxooxazol-4(5H)-ylidene)methyl)phenyl acetate
| Molecular Formula | C13H9I2NO4 |
|---|---|
| Molecular Weight | 496.86 g/mol |
| LogP | 3.1372 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 496.8621 |
| Heavy Atoms | 20 |
| Complexity | 641.33014 |
Chemical Identifiers
| CAS Number | 93087-37-7 |
|---|---|
| SMILES | CC1=NC(=CC2=CC(=C(C(=C2)I)OC(=O)C)I)C(=O)O1 |
Product Overview
4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone (CAS 93087-37-7), with molecular formula C13H9I2NO4 and molecular weight 496.86 g/mol. IUPAC: [2,6-diiodo-4-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone
Property Insights of 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone
The XLogP value of 3.1372 indicates that 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone. Following Lipinski's Rule of Five, 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone 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 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone?
The CAS number of 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone is 93087-37-7.
What is the molecular formula of 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone?
The molecular formula of 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone is C13H9I2NO4.
What is the molecular weight of 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone?
The molecular weight of 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone is 496.86 g/mol.
Where can I buy 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone?
You can request a quote for 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.