4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid
TL;DR: 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid (CAS 1031804-14-4) is a chemical compound with molecular formula C17H24N2O4 and molecular weight 320.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid
Also Known As: IFLab1_005104, 4-(2-ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid, F1278-0113, 4-((2-ethylphenyl)amino)-4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)butanoic acid, 3-[N-(2-ethylphenyl)carbamoyl]-2-[(oxolan-2-ylmethyl)amino]propanoic acid
Technical Specifications
| Molecular Formula | C17H24N2O4 |
| Molecular Weight | 320.1736 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.1736 Da |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
| SMILES | CCC1=CC=CC=C1NC(=O)CC(C(=O)O)NCC2CCCO2 |
| InChIKey | KLEWRDJYEOFKRP-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid
Property Insights of 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid
The XLogP value of -0.3 indicates that 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid. Following Lipinski's Rule of Five, 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic 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-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid?
The CAS number of 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid is 1031804-14-4.
What is the molecular formula of 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid?
The molecular formula of 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid is C17H24N2O4.
What is the molecular weight of 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid?
The molecular weight of 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid is 320.1736 g/mol.
Where can I buy 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid?
You can request a quote for 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-Ethylanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.