1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)-
TL;DR: 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)- (CAS 15611-81-1) is a chemical compound with molecular formula C15H16ClN3O2 and molecular weight 305.0931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-[(4-methylpiperazin-1-yl)amino]naphthalene-1,4-dione
Also Known As: 2-chloro-3-[(4-methylpiperazin-1-yl)amino]naphthalene-1,4-dione, 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)-, 1,4-Naphthalenedione,2-chloro-3-((4-methyl-1-piperazinyl)amino), 1,4-Naphthalenedione,2-chloro-3-[(4-methyl-1-piperazinyl)amino]-
Technical Specifications
| Molecular Formula | C15H16ClN3O2 |
| Molecular Weight | 305.0931 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.0931 Da |
| Heavy Atoms | 21 |
| Complexity | 483.0 |
| SMILES | CN1CCN(CC1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | KUEVGUQDDQGNKW-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)-
Property Insights of 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)-. With a topological polar surface area (TPSA) of 52.7 Ų, 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)- has 1 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 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)-?
The CAS number of 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)- is 15611-81-1.
What is the molecular formula of 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)-?
The molecular formula of 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)- is C15H16ClN3O2.
What is the molecular weight of 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)-?
The molecular weight of 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)- is 305.0931 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)-?
You can request a quote for 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)-?
Yes, CoreyChem provides custom synthesis services for 1,4-Naphthalenedione, 2-chloro-3-((4-methyl-1-piperazinyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.