2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid
TL;DR: 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid (CAS 1396967-26-2) is a chemical compound with molecular formula C16H16ClNO4 and molecular weight 321.07678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-4-methylpentanoic acid
Also Known As: N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)leucine, 2-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid, 2-[(3-chloro-1,4-dioxo-naphthalen-2-yl)amino]-4-methyl-pentanoic Acid, 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-4-methylpentanoic acid, 2-(3-CHLORO-1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YLAMINO)-4-METHYL-PENTANOIC ACID
Technical Specifications
| Molecular Formula | C16H16ClNO4 |
| Molecular Weight | 321.07678 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.07678 Da |
| Heavy Atoms | 22 |
| Complexity | 526.0 |
| SMILES | CC(C)CC(C(=O)O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | FOQCZPYGTIULFZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid
Property Insights of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid
The XLogP value of 3.8 indicates that 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid. Following Lipinski's Rule of Five, 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic 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 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid?
The CAS number of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid is 1396967-26-2.
What is the molecular formula of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid?
The molecular formula of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid is C16H16ClNO4.
What is the molecular weight of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid?
The molecular weight of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid is 321.07678 g/mol.
Where can I buy 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid?
You can request a quote for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.