4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
TL;DR: 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid (CAS 1025761-96-9) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,6-dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
Also Known As: IFLab1_004864, IDI1_010619, 4-(2,6-dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid, AF-399/15540118, F1124-0092
Technical Specifications
| Molecular Formula | C17H20N2O4 |
| Molecular Weight | 316.1423 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.1423 Da |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CC(C(=O)O)NCC2=CC=CO2 |
| InChIKey | HJMCTKUDSUZMQO-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
Property Insights of 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
The XLogP value of -0.2 indicates that 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid has 3 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-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The CAS number of 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is 1025761-96-9.
What is the molecular formula of 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The molecular formula of 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is C17H20N2O4.
What is the molecular weight of 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The molecular weight of 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is 316.1423 g/mol.
Where can I buy 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
You can request a quote for 4-(2,6-Dimethylanilino)-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-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2,6-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.