4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid
TL;DR: 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid (CAS 15254-22-5) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,5-dimethylphenyl)-4-oxobut-2-enoic acid
Also Known As: 4-(2,5-dimethylphenyl)-4-oxobut-2-enoic acid, 3-(2,5-dimethylbenzoyl)-acrylic acid, Acrylicacid,3-(2,5-dimethylbenzoyl)-(8CI), 2-Butenoic acid,4-(2,5-dimethylphenyl)-4-oxo-, 4-(2,5-Dimethyl-phenyl)-4-oxo-but-2-enoic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
| SMILES | CC1=CC(=C(C=C1)C)C(=O)C=CC(=O)O |
| InChIKey | YHCFVGCMSKTDFZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid
Property Insights of 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid?
The CAS number of 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid is 15254-22-5.
What is the molecular formula of 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid?
The molecular formula of 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid is C12H12O3.
What is the molecular weight of 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid?
The molecular weight of 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid is 204.07864 g/mol.
Where can I buy 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid?
You can request a quote for 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2,5-Dimethylphenyl)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.