4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid
TL;DR: 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid (CAS 1026687-43-3) is a chemical compound with molecular formula C13H17N3O5 and molecular weight 295.11682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-nitroanilino)-4-oxo-2-(propylamino)butanoic acid
Also Known As: 4-(3-nitroanilino)-4-oxo-2-(propylamino)butanoic acid, 4-((3-nitrophenyl)amino)-4-oxo-2-(propylamino)butanoic acid, 3-[(3-NITROPHENYL)CARBAMOYL]-2-(PROPYLAMINO)PROPANOIC ACID, F1278-0436, 3-[(3-nitrophenyl)carbamoyl]-2-propylamino-propanoic Acid
Technical Specifications
| Molecular Formula | C13H17N3O5 |
| Molecular Weight | 295.11682 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.11682 Da |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
| SMILES | CCCNC(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | YNDLVTASTZWUQY-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid
Property Insights of 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid
The XLogP value of -0.8 indicates that 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid. Following Lipinski's Rule of Five, 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid has 3 hydrogen bond donor(s) and 6 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-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid?
The CAS number of 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid is 1026687-43-3.
What is the molecular formula of 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid?
The molecular formula of 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid is C13H17N3O5.
What is the molecular weight of 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid?
The molecular weight of 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid is 295.11682 g/mol.
Where can I buy 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid?
You can request a quote for 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Nitroanilino)-4-oxo-2-(propylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.