4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone
TL;DR: 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone (CAS 41888-65-7) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
Also Known As: Maybridge1_005532, DivK1c_001820, CDS1_000780, 4-(3',4'-dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone, 4-(3,4-dimethoxybenzylidene)-2-methyl-1,3-oxazol-5(4h)-one
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 41888-65-7 |
|---|---|
| SMILES | CC1=NC(=CC2=CC(=C(C=C2)OC)OC)C(=O)O1 |
| InChIKey | ABAKBSGPUNJZIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone (CAS 41888-65-7), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone
Property Insights of 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone. With a topological polar surface area (TPSA) of 57.1 Ų, 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone has 0 hydrogen bond donor(s) and 5 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-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone?
The CAS number of 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone is 41888-65-7.
What is the molecular formula of 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone?
The molecular formula of 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone is C13H13NO4.
What is the molecular weight of 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone?
The molecular weight of 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone is 247.08 g/mol.
Where can I buy 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone?
You can request a quote for 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-(3',4'-Dimethoxybenzylidene)-2-methyl-5(4h)-oxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.