4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid
TL;DR: 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid (CAS 1030610-81-1) is a chemical compound with molecular formula C16H23ClN2O3 and molecular weight 326.1397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-chloro-2-methylanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid
Also Known As: 4-((5-chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid, F1278-0636, 4-(5-chloro-2-methylanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid, 3-[(5-chloro-2-methyl-phenyl)carbamoyl]-2-(3-methylbutylamino)propanoic Acid, 3-[N-(5-chloro-2-methylphenyl)carbamoyl]-2-[(3-methylbutyl)amino]propanoic aci d
Technical Specifications
| Molecular Formula | C16H23ClN2O3 |
| Molecular Weight | 326.1397 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.1397 Da |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)O)NCCC(C)C |
| InChIKey | GFJRFEGEHPMEER-UHFFFAOYSA-N |
Chemical Property Profile of 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid
Property Insights of 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((5-Chloro-2-methylphenyl)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-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid?
The CAS number of 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid is 1030610-81-1.
What is the molecular formula of 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid?
The molecular formula of 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid is C16H23ClN2O3.
What is the molecular weight of 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid?
The molecular weight of 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid is 326.1397 g/mol.
Where can I buy 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid?
You can request a quote for 4-((5-Chloro-2-methylphenyl)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-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-((5-Chloro-2-methylphenyl)amino)-2-(isopentylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.