4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
TL;DR: 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid (CAS 1025759-17-4) is a chemical compound with molecular formula C18H21N3O3 and molecular weight 327.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,3-dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
Also Known As: AF-399/15540090, 4-(2,3-dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid, F1124-0060, 4-((2,3-dimethylphenyl)amino)-4-oxo-2-((pyridin-3-ylmethyl)amino)butanoic acid, 4-(2,3-dimethylanilino)-4-oxo-2-[(pyridin-3-ylmethyl)amino]butanoic acid
Technical Specifications
| Molecular Formula | C18H21N3O3 |
| Molecular Weight | 327.1583 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.1583 Da |
| Heavy Atoms | 24 |
| Complexity | 430.0 |
| SMILES | CC1=C(C(=CC=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2)C |
| InChIKey | KJRRTBATBGWNET-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
Property Insights of 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
The XLogP value of -0.3 indicates that 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid. Following Lipinski's Rule of Five, 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic 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-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
The CAS number of 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is 1025759-17-4.
What is the molecular formula of 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
The molecular formula of 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is C18H21N3O3.
What is the molecular weight of 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
The molecular weight of 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is 327.1583 g/mol.
Where can I buy 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
You can request a quote for 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2,3-Dimethylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.