![methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate structure](/static/products/851/851940-49-3.png)
methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
TL;DR: methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate (CAS 851940-49-3) is a chemical compound with molecular formula C22H28N6O5 and molecular weight 456.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
Also Known As: methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate, methyl 2-[8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate, methyl 2-(8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate, methyl 2-(8-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate, methyl 2-(8-{[4-(4-methoxyphenyl)piperazinyl]methyl}-1,3-dimethyl-2,6-dioxo-1, 3,7-trihydropurin-7-yl)acetate
| Molecular Formula | C22H28N6O5 |
|---|---|
| Molecular Weight | 456.21 g/mol |
| LogP | -0.0625 |
| Topological Polar Surface Area | 103.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.21213 |
| Heavy Atoms | 33 |
| Complexity | 1281.8243 |
Chemical Identifiers
| CAS Number | 851940-49-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CC(=O)OC |
Product Overview
methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate (CAS 851940-49-3), with molecular formula C22H28N6O5 and molecular weight 456.21 g/mol. IUPAC: methyl 2-[8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Property Insights of methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
The XLogP value of -0.0625 indicates that methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.83 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate. Following Lipinski's Rule of Five, methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate 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 methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate?
The CAS number of methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate is 851940-49-3.
What is the molecular formula of methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate?
The molecular formula of methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate is C22H28N6O5.
What is the molecular weight of methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate?
The molecular weight of methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate is 456.21 g/mol.
Where can I buy methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate?
You can request a quote for methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.