8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione (CAS 872628-06-3) is a chemical compound with molecular formula C24H32FN7O3 and molecular weight 485.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
Also Known As: 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione, 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione, 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione, 8-{[4-(2-fluorophenyl)piperazinyl]methyl}-1,3-dimethyl-7-(2-morpholin-4-ylethy l)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C24H32FN7O3 |
|---|---|
| Molecular Weight | 485.26 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.25507 |
| Heavy Atoms | 35 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 872628-06-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CCN5CCOCC5 |
| InChIKey | BFMFGUONVKKSRV-UHFFFAOYSA-N |
Product Overview
8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione (CAS 872628-06-3), with molecular formula C24H32FN7O3 and molecular weight 485.26 g/mol. IUPAC: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione.
Chemical Property Profile of 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 8 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 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione is 872628-06-3.
What is the molecular formula of 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione is C24H32FN7O3.
What is the molecular weight of 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione is 485.26 g/mol.
Where can I buy 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.