4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
TL;DR: 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid (CAS 1031807-25-6) is a chemical compound with molecular formula C16H15N3O4 and molecular weight 313.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
Also Known As: VU0512761-1, 4-(2-cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid, F3177-0031, 3-[(2-cyanophenyl)carbamoyl]-2-{[(furan-2-yl)methyl]amino}propanoic acid, 4-((2-cyanophenyl)amino)-2-((furan-2-ylmethyl)amino)-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C16H15N3O4 |
| Molecular Weight | 313.10626 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.10626 Da |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)CC(C(=O)O)NCC2=CC=CO2 |
| InChIKey | LPJIGBHOMXMUQX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
Property Insights of 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
The XLogP value of -1.2 indicates that 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 6 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-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The CAS number of 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is 1031807-25-6.
What is the molecular formula of 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The molecular formula of 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is C16H15N3O4.
What is the molecular weight of 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The molecular weight of 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is 313.10626 g/mol.
Where can I buy 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
You can request a quote for 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-Cyanoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.