![8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/851/851941-04-3.png)
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851941-04-3) is a chemical compound with molecular formula C23H31ClN6O2 and molecular weight 458.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione
Also Known As: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione, 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione, 8-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-pentyl-1H-purine-2,6(3H,7H)-dione, 8-{[4-(3-chlorophenyl)piperazinyl]methyl}-1,3-dimethyl-7-pentyl-1,3,7-trihydro purine-2,6-dione
| Molecular Formula | C23H31ClN6O2 |
|---|---|
| Molecular Weight | 458.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.2197 |
| Heavy Atoms | 32 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 851941-04-3 |
|---|---|
| SMILES | CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC(=CC=C4)Cl |
| InChIKey | JFIDNVVMCZCIKA-UHFFFAOYSA-N |
Product Overview
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851941-04-3), with molecular formula C23H31ClN6O2 and molecular weight 458.22 g/mol. IUPAC: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione.
Chemical Property Profile of 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 3.4 indicates that 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-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 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 851941-04-3.
What is the molecular formula of 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C23H31ClN6O2.
What is the molecular weight of 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 458.22 g/mol.
Where can I buy 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-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 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.