![2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide structure](/static/products/851/851940-89-1.png)
2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
TL;DR: 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide (CAS 851940-89-1) is a chemical compound with molecular formula C20H24FN7O3 and molecular weight 429.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
Also Known As: 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide, 2-(8-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide, 2-(8-{[4-(4-fluorophenyl)piperazinyl]methyl}-1,3-dimethyl-2,6-dioxo-1,3,7-trih ydropurin-7-yl)acetamide, 2-[8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetamide, 2-[8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
| Molecular Formula | C20H24FN7O3 |
|---|---|
| Molecular Weight | 429.19 g/mol |
| LogP | -0.6197 |
| Topological Polar Surface Area | 111.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.19247 |
| Heavy Atoms | 31 |
| Complexity | 1250.9897 |
Chemical Identifiers
| CAS Number | 851940-89-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CC(=O)N |
Product Overview
2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide (CAS 851940-89-1), with molecular formula C20H24FN7O3 and molecular weight 429.19 g/mol. IUPAC: 2-[8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide.
Chemical Property Profile of 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Property Insights of 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
The XLogP value of -0.6197 indicates that 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide. Following Lipinski's Rule of Five, 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide has 1 hydrogen bond donor(s) and 6 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 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
The CAS number of 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide is 851940-89-1.
What is the molecular formula of 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
The molecular formula of 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide is C20H24FN7O3.
What is the molecular weight of 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
The molecular weight of 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide is 429.19 g/mol.
Where can I buy 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
You can request a quote for 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.