4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone
TL;DR: 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone (CAS 91719-58-3) is a chemical compound with molecular formula C13H10INO4 and molecular weight 370.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-iodo-4-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
Also Known As: 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone, [2-iodo-4-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] Acetate, 4-(4-acetoxy-3-iodo-benzylidene)-2-methyl-4H-oxazol-5-one
| Molecular Formula | C13H10INO4 |
|---|---|
| Molecular Weight | 370.97 g/mol |
| LogP | 2.5326 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.96545 |
| Heavy Atoms | 19 |
| Complexity | 619.0693 |
Chemical Identifiers
| CAS Number | 91719-58-3 |
|---|---|
| SMILES | CC1=NC(=CC2=CC(=C(C=C2)OC(=O)C)I)C(=O)O1 |
Product Overview
4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone (CAS 91719-58-3), with molecular formula C13H10INO4 and molecular weight 370.97 g/mol. IUPAC: [2-iodo-4-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone
Property Insights of 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone
The XLogP value of 2.5326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone. Following Lipinski's Rule of Five, 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-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-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone?
The CAS number of 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone is 91719-58-3.
What is the molecular formula of 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone?
The molecular formula of 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone is C13H10INO4.
What is the molecular weight of 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone?
The molecular weight of 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone is 370.97 g/mol.
Where can I buy 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone?
You can request a quote for 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-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-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Acetoxy-3-iodobenzal)-2-methyl-5-oxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.