4-Benzylidene-5-oxazolone
TL;DR: 4-Benzylidene-5-oxazolone (CAS 5839-91-8) is a chemical compound with molecular formula C10H7NO2 and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylidene-1,3-oxazol-5-one
Also Known As: 4-benzylidene-5-oxazolone, 4-benzylidene-1,3-oxazol-5-one, 4-benzylidene-1,3-oxazol-5(4h)-one
| Molecular Formula | C10H7NO2 |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.04768 |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 5839-91-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C(=O)OC=N2 |
| InChIKey | IZKYDJIWHDHZOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzylidene-5-oxazolone (CAS 5839-91-8), with molecular formula C10H7NO2 and molecular weight 173.05 g/mol. IUPAC: 4-benzylidene-1,3-oxazol-5-one.
Chemical Property Profile of 4-Benzylidene-5-oxazolone
Property Insights of 4-Benzylidene-5-oxazolone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylidene-5-oxazolone. With a topological polar surface area (TPSA) of 38.7 Ų, 4-Benzylidene-5-oxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylidene-5-oxazolone has 0 hydrogen bond donor(s) and 3 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-5-oxazolone?
The CAS number of 4-Benzylidene-5-oxazolone is 5839-91-8.
What is the molecular formula of 4-Benzylidene-5-oxazolone?
The molecular formula of 4-Benzylidene-5-oxazolone is C10H7NO2.
What is the molecular weight of 4-Benzylidene-5-oxazolone?
The molecular weight of 4-Benzylidene-5-oxazolone is 173.05 g/mol.
Where can I buy 4-Benzylidene-5-oxazolone?
You can request a quote for 4-Benzylidene-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-Benzylidene-5-oxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylidene-5-oxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.