8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
TL;DR: 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione (CAS 102838-09-5) is a chemical compound with molecular formula C21H27N5O4 and molecular weight 413.2063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Also Known As: BAS 02378916, AB00685260-01, F0823-0126, 8-(cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione, 8-(cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Technical Specifications
| Molecular Formula | C21H27N5O4 |
| Molecular Weight | 413.2063 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.2063 Da |
| Heavy Atoms | 30 |
| Complexity | 608.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(COC4=CC=CC=C4)O |
| InChIKey | VQNCIJCTZGQDES-UHFFFAOYSA-N |
Chemical Property Profile of 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Property Insights of 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione 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 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione?
The CAS number of 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione is 102838-09-5.
What is the molecular formula of 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione?
The molecular formula of 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione is C21H27N5O4.
What is the molecular weight of 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione?
The molecular weight of 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione is 413.2063 g/mol.
Where can I buy 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione?
You can request a quote for 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 8-(Cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.