4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid
TL;DR: 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid (CAS 139084-66-5) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-4-oxo-2-(propan-2-ylamino)butanoic acid
Also Known As: 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid hydrate, Benzenebutanoic acid, 4-chloro-alpha-((1-methylethyl)amino)-gamma-oxo-, hydrate, 4-(4-chlorophenyl)-4-oxo-2-(propan-2-ylamino)butanoic acid, 4-(4-Chlorophenyl)-4-oxo-2-[(propan-2-yl)amino]butanoic acid, 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid
Technical Specifications
| Molecular Formula | C13H16ClNO3 |
| Molecular Weight | 269.08188 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.08188 Da |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
| SMILES | CC(C)NC(CC(=O)C1=CC=C(C=C1)Cl)C(=O)O |
| InChIKey | XUNABFHVXQPMOS-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid
Property Insights of 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid
The XLogP value of -0.1 indicates that 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid. Following Lipinski's Rule of Five, 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid has 2 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-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid?
The CAS number of 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid is 139084-66-5.
What is the molecular formula of 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid?
The molecular formula of 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid is C13H16ClNO3.
What is the molecular weight of 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid?
The molecular weight of 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid is 269.08188 g/mol.
Where can I buy 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid?
You can request a quote for 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-alpha-((1-methylethyl)amino)-gamma-oxobenzenebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.