![7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione structure](/static/products/893/893944-90-6.png)
7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
TL;DR: 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione (CAS 893944-90-6) is a chemical compound with molecular formula C21H27FN6O4 and molecular weight 446.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione, F1890-0109, 7-(2,3-Dihydroxypropyl)-8-{[4-(4-fluorophenyl)piperazinyl]methyl}-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione, 7-(2,3-dihydroxypropyl)-8-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-(2,3-dihydroxypropyl)-8-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H27FN6O4 |
|---|---|
| Molecular Weight | 446.21 g/mol |
| LogP | -0.7518 |
| Topological Polar Surface Area | 108.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.2078 |
| Heavy Atoms | 32 |
| Complexity | 1224.2914 |
Chemical Identifiers
| CAS Number | 893944-90-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CC(CO)O |
Product Overview
7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione (CAS 893944-90-6), with molecular formula C21H27FN6O4 and molecular weight 446.21 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Property Insights of 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
The XLogP value of -0.7518 indicates that 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The CAS number of 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione is 893944-90-6.
What is the molecular formula of 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The molecular formula of 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione is C21H27FN6O4.
What is the molecular weight of 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The molecular weight of 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione is 446.21 g/mol.
Where can I buy 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione?
You can request a quote for 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2,3-dihydroxypropyl)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.