4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid
TL;DR: 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid (CAS 1030612-47-5) is a chemical compound with molecular formula C17H26N2O3 and molecular weight 306.19434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-ethylanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid
Also Known As: 4-((4-ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid, 4-(4-ethylanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid, F1278-0092, 3-[(4-ethylphenyl)carbamoyl]-2-(3-methylbutylamino)propanoic Acid, 3-[N-(4-ethylphenyl)carbamoyl]-2-[(3-methylbutyl)amino]propanoic acid
Technical Specifications
| Molecular Formula | C17H26N2O3 |
| Molecular Weight | 306.19434 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 306.19434 Da |
| Heavy Atoms | 22 |
| Complexity | 350.0 |
| SMILES | CCC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC(C)C |
| InChIKey | WLAVDKHRAXHDSO-UHFFFAOYSA-N |
Chemical Property Profile of 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid
Property Insights of 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic 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-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid?
The CAS number of 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid is 1030612-47-5.
What is the molecular formula of 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid?
The molecular formula of 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid is C17H26N2O3.
What is the molecular weight of 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid?
The molecular weight of 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid is 306.19434 g/mol.
Where can I buy 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid?
You can request a quote for 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-((4-Ethylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.