4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
TL;DR: 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid (CAS 1032100-54-1) is a chemical compound with molecular formula C13H17ClN2O4 and molecular weight 300.08768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
Also Known As: 4-(3-chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid, AF-399/15540132, 4-((3-chlorophenyl)amino)-2-((2-methoxyethyl)amino)-4-oxobutanoic acid, F1124-0082, 3-[(3-chlorophenyl)carbamoyl]-2-(2-methoxyethylamino)propanoic Acid
Technical Specifications
| Molecular Formula | C13H17ClN2O4 |
| Molecular Weight | 300.08768 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 300.08768 Da |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
| SMILES | COCCNC(CC(=O)NC1=CC(=CC=C1)Cl)C(=O)O |
| InChIKey | IXJSXGYXAHKOIX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
Property Insights of 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
The XLogP value of -1.0 indicates that 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic 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-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-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-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid?
The CAS number of 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid is 1032100-54-1.
What is the molecular formula of 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid?
The molecular formula of 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid is C13H17ClN2O4.
What is the molecular weight of 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid?
The molecular weight of 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid is 300.08768 g/mol.
Where can I buy 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid?
You can request a quote for 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Chloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.