1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline
TL;DR: 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline (CAS 19559-37-6) is a chemical compound with molecular formula C14H15ClN4O2 and molecular weight 306.08835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-1-(4-methylpiperazin-1-yl)-6-nitroisoquinoline
Also Known As: 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline, 3-chloro-1-(4-methylpiperazin-1-yl)-6-nitroisoquinoline, 3-Chloro-1-(4-methyl-1-piperazinyl)-5-nitroisoquinoline, ISOQUINOLINE, 3-CHLORO-1-(4-METHYL-1-PIPERAZINYL)-5-NITRO-, 3-CHLORO-1-(4-METHYL-(PIPERAZIN-1-YL))-5-NITROISOQUINOLINE
Technical Specifications
| Molecular Formula | C14H15ClN4O2 |
| Molecular Weight | 306.08835 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.08835 Da |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
| SMILES | CN1CCN(CC1)C2=C3C=CC(=CC3=CC(=N2)Cl)[N+](=O)[O-] |
| InChIKey | VGOIARRTASHGDM-UHFFFAOYSA-N |
Chemical Property Profile of 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline
Property Insights of 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline
The XLogP value of 3.2 indicates that 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline. Following Lipinski's Rule of Five, 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline has 0 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-N-Methylpiperazine-2-chloro-4-nitroisoquinoline?
The CAS number of 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline is 19559-37-6.
What is the molecular formula of 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline?
The molecular formula of 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline is C14H15ClN4O2.
What is the molecular weight of 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline?
The molecular weight of 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline is 306.08835 g/mol.
Where can I buy 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline?
You can request a quote for 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline?
Yes, CoreyChem provides custom synthesis services for 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.