4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid
TL;DR: 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid (CAS 1031208-58-8) is a chemical compound with molecular formula C16H15ClN2O3 and molecular weight 318.07712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
Also Known As: 4-(4-CHLOROPHENYL)-4-OXO-2-((3-PYRIDYLMETHYL)AMINO)BUTANOIC ACID, 4-(4-chlorophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid, 4-(4-chlorophenyl)-4-oxo-2-(3-pyridylmethylamino)butanoic acid, 4-(4-chlorophenyl)-4-oxo-2-[(3-pyridinylmethyl)amino]butanoic acid, 4-(4-chlorophenyl)-4-oxo-2-{[(pyridin-3-yl)methyl]amino}butanoic acid
Technical Specifications
| Molecular Formula | C16H15ClN2O3 |
| Molecular Weight | 318.07712 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.07712 Da |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
| SMILES | C1=CC(=CN=C1)CNC(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | AKJSULODCDBQFB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid
Property Insights of 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid
The XLogP value of -0.5 indicates that 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid has 2 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)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid?
The CAS number of 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid is 1031208-58-8.
What is the molecular formula of 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid?
The molecular formula of 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid is C16H15ClN2O3.
What is the molecular weight of 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid?
The molecular weight of 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid is 318.07712 g/mol.
Where can I buy 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid?
You can request a quote for 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Chlorophenyl)-4-oxo-2-((3-pyridylmethyl)amino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.