2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
TL;DR: 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one (CAS 538339-32-1) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
Also Known As: IFLab1_005090, 2-ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one, 5(4H)-Oxazolone, 2-ethyl-4-[(4-methylphenyl)methylene]- (9CI)
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.70122 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 469.21088 |
Chemical Identifiers
| CAS Number | 538339-32-1 |
|---|---|
| SMILES | CCC1=NC(=CC2=CC=C(C=C2)C)C(=O)O1 |
Product Overview
2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one (CAS 538339-32-1), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: 2-ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one.
Chemical Property Profile of 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
Property Insights of 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
The XLogP value of 2.70122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one. With a topological polar surface area (TPSA) of 38.66 Ų, 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-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 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The CAS number of 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one is 538339-32-1.
What is the molecular formula of 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The molecular formula of 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one is C13H13NO2.
What is the molecular weight of 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The molecular weight of 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one is 215.09 g/mol.
Where can I buy 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
You can request a quote for 2-Ethyl-4-[(4-methylphenyl)methylidene]-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 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.