![3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid structure](/static/products/1087/108749-44-6.webp)
3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid
TL;DR: 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid (CAS 108749-44-6) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-acetamidoanilino)-4-oxobut-2-enoic acid
Also Known As: NCIOpen2_004901, 3-(4-Acetylamino-phenylcarbamoyl)-acrylic acid, 4-(4-acetamidoanilino)-4-oxobut-2-enoic acid, 3-[(4-ACETAMIDOPHENYL)CARBAMOYL]PROP-2-ENOIC ACID
Technical Specifications
| Molecular Formula | C12H12N2O4 |
| Molecular Weight | 248.07971 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.07971 Da |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)C=CC(=O)O |
| InChIKey | BLZKIXNZGXLIKB-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid
Property Insights of 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid has 3 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 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid?
The CAS number of 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid is 108749-44-6.
What is the molecular formula of 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid?
The molecular formula of 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid is C12H12N2O4.
What is the molecular weight of 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid?
The molecular weight of 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid is 248.07971 g/mol.
Where can I buy 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid?
You can request a quote for 3-[(4-Acetamidophenyl)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-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[(4-Acetamidophenyl)carbamoyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.