4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one
TL;DR: 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one (CAS 1163-85-5) is a chemical compound with molecular formula C18H13NO4 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
Also Known As: 4-(4-acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one, 5(4H)-Oxazolone, 4-[[4-(acetyloxy)phenyl]methylene]-2-phenyl, [4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate, 4-[(5-oxo-2-phenyl-1,3-oxazol-4(5h)-ylidene)methyl]phenyl acetate
| Molecular Formula | C18H13NO4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.08447 |
| Heavy Atoms | 23 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 1163-85-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3 |
| InChIKey | QEUQVGFKMXYPPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one (CAS 1163-85-5), with molecular formula C18H13NO4 and molecular weight 307.08 g/mol. IUPAC: [4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one
Property Insights of 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one
The XLogP value of 3.3 indicates that 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one. Following Lipinski's Rule of Five, 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one 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-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one?
The CAS number of 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one is 1163-85-5.
What is the molecular formula of 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one?
The molecular formula of 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one is C18H13NO4.
What is the molecular weight of 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one?
The molecular weight of 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one is 307.08 g/mol.
Where can I buy 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one?
You can request a quote for 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Acetoxybenzylidene)-2-phenyl-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.