![7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/851/851937-67-2.png)
7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851937-67-2) is a chemical compound with molecular formula C22H29FN6O2 and molecular weight 428.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-butyl-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione, 7-butyl-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione, 7-butyl-8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H29FN6O2 |
|---|---|
| Molecular Weight | 428.23 g/mol |
| LogP | 1.6951 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.2336 |
| Heavy Atoms | 31 |
| Complexity | 1203.1571 |
Chemical Identifiers
| CAS Number | 851937-67-2 |
|---|---|
| SMILES | CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4F |
Product Overview
7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851937-67-2), with molecular formula C22H29FN6O2 and molecular weight 428.23 g/mol. IUPAC: 7-butyl-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 1.6951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 5 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-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 851937-67-2.
What is the molecular formula of 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C22H29FN6O2.
What is the molecular weight of 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 428.23 g/mol.
Where can I buy 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-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-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.