![5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl- structure](/static/products/5768/57689-69-7.webp)
5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl-
TL;DR: 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl- (CAS 57689-69-7) is a chemical compound with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chlorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
Also Known As: 4-[(3-chlorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one, 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl-, 3-Aethyl-4H-<1.2.4>oxadiazol-5-on, 4-[(3-Chlorophenyl)methylene]-2-methyl-5(4H)-oxazolone, ETHYL2-ETHOXY-3-(4-HYDROXYPHENYL)PROPIONATE
| Molecular Formula | C11H8ClNO2 |
|---|---|
| Molecular Weight | 221.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.02435 |
| Heavy Atoms | 15 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 57689-69-7 |
|---|---|
| SMILES | CC1=NC(=CC2=CC(=CC=C2)Cl)C(=O)O1 |
| InChIKey | PPAQRXQTAMCHKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl- (CAS 57689-69-7), with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol. IUPAC: 4-[(3-chlorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one.
Chemical Property Profile of 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl-
Property Insights of 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl-. With a topological polar surface area (TPSA) of 38.7 Ų, 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl- 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 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl-?
The CAS number of 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl- is 57689-69-7.
What is the molecular formula of 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl-?
The molecular formula of 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl- is C11H8ClNO2.
What is the molecular weight of 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl-?
The molecular weight of 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl- is 221.02 g/mol.
Where can I buy 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl-?
You can request a quote for 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5(4H)-Oxazolone, 4-[(3-chlorophenyl)methylene]-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.