4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid
TL;DR: 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid (CAS 1031361-14-4) is a chemical compound with molecular formula C14H20ClN3O3 and molecular weight 313.11932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chloroanilino)-2-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid
Also Known As: 4-((4-chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid, F1278-0163, 3-[(4-chlorophenyl)carbamoyl]-2-(2-dimethylaminoethylamino)propanoic Acid, 4-(4-chloroanilino)-2-(2-dimethylaminoethylamino)-4-oxobutanoic acid, 4-(4-chloroanilino)-2-[2-(dimethylamino)ethylamino]-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C14H20ClN3O3 |
| Molecular Weight | 313.11932 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.11932 Da |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
| SMILES | CN(C)CCNC(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)O |
| InChIKey | GQHMXYYNWFWRAJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid
Property Insights of 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid
The XLogP value of -0.8 indicates that 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-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-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid?
The CAS number of 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid is 1031361-14-4.
What is the molecular formula of 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid is C14H20ClN3O3.
What is the molecular weight of 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid is 313.11932 g/mol.
Where can I buy 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-((4-Chlorophenyl)amino)-2-((2-(dimethylamino)ethyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.