4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid (CAS 112881-73-9) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methoxycarbonylanilino)-4-oxobut-2-enoic acid
Also Known As: Maybridge3_005821, 4-(2-methoxycarbonylanilino)-4-oxobut-2-enoic acid, 4-[2-(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid, 4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid
Technical Specifications
| Molecular Formula | C12H11NO5 |
| Molecular Weight | 249.06372 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.06372 Da |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C=CC(=O)O |
| InChIKey | DAPLTIRLFKBRQA-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 5 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-Methoxycarbonylanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid is 112881-73-9.
What is the molecular formula of 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid is C12H11NO5.
What is the molecular weight of 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid is 249.06372 g/mol.
Where can I buy 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(2-Methoxycarbonylanilino)-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-Methoxycarbonylanilino)-4-oxobut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-Methoxycarbonylanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.