![3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid structure](/static/products/1421/1421751-23-6.webp)
3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid
TL;DR: 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid (CAS 1421751-23-6) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,5-dimethylanilino)-4-oxobut-2-enoic acid
Also Known As: 3-[(3,5-dimethylphenyl)carbamoyl]prop-2-enoic acid, 4-(3,5-dimethylanilino)-4-oxobut-2-enoic acid, 4-(3,5-dimethylanilino)-4-oxo-but-2-enoic acid, (E)-4-(3,5-Dimethylanilino)-4-oxo-2-butenoic acid, 4-[(3,5-dimethylphenyl)amino]-4-oxo-2-butenoic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
| SMILES | CC1=CC(=CC(=C1)NC(=O)C=CC(=O)O)C |
| InChIKey | RMPBFVIFASQTTQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid
Property Insights of 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid has 2 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 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid?
The CAS number of 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid is 1421751-23-6.
What is the molecular formula of 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid?
The molecular formula of 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid is C12H13NO3.
What is the molecular weight of 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid?
The molecular weight of 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid is 219.08954 g/mol.
Where can I buy 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid?
You can request a quote for 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[(3,5-Dimethylphenyl)carbamoyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.