4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one
TL;DR: 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one (CAS 34108-13-9) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one
Also Known As: NCI60_001028, 4-benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one, 4-benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5(4h)-one
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 34108-13-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3)C(=O)O2 |
| InChIKey | IOFAUGQLKIMIQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one (CAS 34108-13-9), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 4-benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one.
Chemical Property Profile of 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one
Property Insights of 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one
The XLogP value of 3.5 indicates that 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one has 0 hydrogen bond donor(s) and 4 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-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The CAS number of 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one is 34108-13-9.
What is the molecular formula of 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The molecular formula of 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one is C17H13NO3.
What is the molecular weight of 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The molecular weight of 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one is 279.09 g/mol.
Where can I buy 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
You can request a quote for 4-Benzylidene-2-(4-methoxyphenyl)-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-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylidene-2-(4-methoxyphenyl)-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.