(E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide
TL;DR: (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide (CAS 117379-60-9) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide
Also Known As: (e)-4-(3,4-dimethoxyphenyl)-4-oxo-2-butenamide, (E)-4-(3,4-dimethoxyphenyl)-4-oxo-but-2-enamide
Technical Specifications
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.08446 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08446 Da |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)/C=C/C(=O)N)OC |
| InChIKey | JNIKMWFOWPTKCA-GQCTYLIASA-N |
Chemical Property Profile of (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide
Property Insights of (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide. Following Lipinski's Rule of Five, (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide?
The CAS number of (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide is 117379-60-9.
What is the molecular formula of (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide?
The molecular formula of (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide is C12H13NO4.
What is the molecular weight of (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide?
The molecular weight of (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide is 235.08446 g/mol.
Where can I buy (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide?
You can request a quote for (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide?
Yes, CoreyChem provides custom synthesis services for (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.