4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
TL;DR: 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid (CAS 1031899-48-5) is a chemical compound with molecular formula C18H22N2O4 and molecular weight 330.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
Also Known As: 4-(2-ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid, F1533-0220, 4-((2-ethyl-6-methylphenyl)amino)-2-((furan-2-ylmethyl)amino)-4-oxobutanoic acid, 3-[(2-ethyl-6-methyl-phenyl)carbamoyl]-2-(2-furylmethylamino)propanoic Acid, 3-[N-(6-ethyl-2-methylphenyl)carbamoyl]-2-[(2-furylmethyl)amino]propanoic acid
Technical Specifications
| Molecular Formula | C18H22N2O4 |
| Molecular Weight | 330.15796 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.15796 Da |
| Heavy Atoms | 24 |
| Complexity | 429.0 |
| SMILES | CCC1=CC=CC(=C1NC(=O)CC(C(=O)O)NCC2=CC=CO2)C |
| InChIKey | NQXDJLKNSVVSLB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
Property Insights of 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2-Ethyl-6-methylanilino)-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-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The CAS number of 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is 1031899-48-5.
What is the molecular formula of 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The molecular formula of 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is C18H22N2O4.
What is the molecular weight of 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The molecular weight of 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is 330.15796 g/mol.
Where can I buy 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
You can request a quote for 4-(2-Ethyl-6-methylanilino)-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-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-Ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.