6-(4-Chlorophenoxy)-9-methylpurine
TL;DR: 6-(4-Chlorophenoxy)-9-methylpurine (CAS 117022-36-3) is a chemical compound with molecular formula C14H16N+ and molecular weight 198.12828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenyl-1-propan-2-ylpyridin-1-ium
Also Known As: 6-(4-chlorophenoxy)-9-methylpurine, 4-phenyl-1-(propan-2-yl)pyridinium, 4-phenyl-1-propan-2-yl-pyridine, 4-phenyl-1-propan-2-ylpyridin-1-ium, Pyridinium,1-(1-methylethyl)-4-phenyl-
Technical Specifications
| Molecular Formula | C14H16N+ |
| Molecular Weight | 198.12828 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.12828 Da |
| Heavy Atoms | 15 |
| Complexity | 174.0 |
| SMILES | CC(C)[N+]1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | NZEZPAVASCZNHW-UHFFFAOYSA-N |
Chemical Property Profile of 6-(4-Chlorophenoxy)-9-methylpurine
Property Insights of 6-(4-Chlorophenoxy)-9-methylpurine
The XLogP value of 3.3 indicates that 6-(4-Chlorophenoxy)-9-methylpurine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.9 Ų, 6-(4-Chlorophenoxy)-9-methylpurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-Chlorophenoxy)-9-methylpurine has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(4-Chlorophenoxy)-9-methylpurine?
The CAS number of 6-(4-Chlorophenoxy)-9-methylpurine is 117022-36-3.
What is the molecular formula of 6-(4-Chlorophenoxy)-9-methylpurine?
The molecular formula of 6-(4-Chlorophenoxy)-9-methylpurine is C14H16N+.
What is the molecular weight of 6-(4-Chlorophenoxy)-9-methylpurine?
The molecular weight of 6-(4-Chlorophenoxy)-9-methylpurine is 198.12828 g/mol.
Where can I buy 6-(4-Chlorophenoxy)-9-methylpurine?
You can request a quote for 6-(4-Chlorophenoxy)-9-methylpurine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(4-Chlorophenoxy)-9-methylpurine?
Yes, CoreyChem provides custom synthesis services for 6-(4-Chlorophenoxy)-9-methylpurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.