4-benzylidene-2-methyl-4H-oxazol-5-one
TL;DR: 4-benzylidene-2-methyl-4H-oxazol-5-one (CAS 881-90-3) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylidene-2-methyl-1,3-oxazol-5-one
Also Known As: zlchem 901, Maybridge1_006455, 4-Benzylidene-2-methyloxazol-5(4H)-one, (Z)-4-Benzylidene-2-methyloxazol-5(4H)-one, 2-methyl-4-benzylidene-5-oxazolone
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 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 | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 881-90-3 |
|---|---|
| SMILES | CC1=NC(=CC2=CC=CC=C2)C(=O)O1 |
| InChIKey | BWQBTJRPSDVWIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-benzylidene-2-methyl-4H-oxazol-5-one (CAS 881-90-3), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 4-benzylidene-2-methyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-benzylidene-2-methyl-4H-oxazol-5-one
Property Insights of 4-benzylidene-2-methyl-4H-oxazol-5-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzylidene-2-methyl-4H-oxazol-5-one. With a topological polar surface area (TPSA) of 38.7 Ų, 4-benzylidene-2-methyl-4H-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzylidene-2-methyl-4H-oxazol-5-one 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-2-methyl-4H-oxazol-5-one?
The CAS number of 4-benzylidene-2-methyl-4H-oxazol-5-one is 881-90-3.
What is the molecular formula of 4-benzylidene-2-methyl-4H-oxazol-5-one?
The molecular formula of 4-benzylidene-2-methyl-4H-oxazol-5-one is C11H9NO2.
What is the molecular weight of 4-benzylidene-2-methyl-4H-oxazol-5-one?
The molecular weight of 4-benzylidene-2-methyl-4H-oxazol-5-one is 187.06 g/mol.
Where can I buy 4-benzylidene-2-methyl-4H-oxazol-5-one?
You can request a quote for 4-benzylidene-2-methyl-4H-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-methyl-4H-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-benzylidene-2-methyl-4H-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.