4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid (CAS 1394131-73-7) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-carbamoylanilino)-4-oxobut-2-enoic acid
Also Known As: DivK1c_004975, CDS1_003935, 4-(3-carbamoylanilino)-4-oxobut-2-enoic acid, (E)-4-[3-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid, 4-{[3-(aminocarbonyl)phenyl]amino}-4-oxo-2-butenoic acid
Technical Specifications
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.06406 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.06406 Da |
| Heavy Atoms | 17 |
| Complexity | 351.0 |
| SMILES | C1=CC(=CC(=C1)NC(=O)C=CC(=O)O)C(=O)N |
| InChIKey | GNFSYBNDPOBXLJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(3-Carbamoylanilino)-4-oxobut-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 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid is 1394131-73-7.
What is the molecular formula of 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid is C11H10N2O4.
What is the molecular weight of 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid is 234.06406 g/mol.
Where can I buy 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(3-Carbamoylanilino)-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-(3-Carbamoylanilino)-4-oxobut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Carbamoylanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.