4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid
TL;DR: 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid (CAS 1038408-51-3) is a chemical compound with molecular formula C13H17ClN2O3 and molecular weight 284.09277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid
Also Known As: 4-(3-chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid, F2721-0309, 4-((3-chloro-4-methylphenyl)amino)-2-(ethylamino)-4-oxobutanoic acid, 3-[(3-chloro-4-methyl-phenyl)carbamoyl]-2-ethylamino-propanoic Acid, 3-[N-(3-chloro-4-methylphenyl)carbamoyl]-2-(ethylamino)propanoic acid
Technical Specifications
| Molecular Formula | C13H17ClN2O3 |
| Molecular Weight | 284.09277 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.09277 Da |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
| SMILES | CCNC(CC(=O)NC1=CC(=C(C=C1)C)Cl)C(=O)O |
| InChIKey | JQAOOHDLZDCFOM-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid
Property Insights of 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-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-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid?
The CAS number of 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid is 1038408-51-3.
What is the molecular formula of 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid?
The molecular formula of 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid is C13H17ClN2O3.
What is the molecular weight of 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid?
The molecular weight of 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid is 284.09277 g/mol.
Where can I buy 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid?
You can request a quote for 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Chloro-4-methylanilino)-2-(ethylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.