![9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione structure](/static/products/3803/380339-80-0.webp)
9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
TL;DR: 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione (CAS 380339-80-0) is a chemical compound with molecular formula C20H24N6O3 and molecular weight 396.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AN-465/41992634, 9-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione, 9-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H24N6O3 |
|---|---|
| Molecular Weight | 396.19 g/mol |
| LogP | -0.2219 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.19098 |
| Heavy Atoms | 29 |
| Complexity | 1152.6587 |
Chemical Identifiers
| CAS Number | 380339-80-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione (CAS 380339-80-0), with molecular formula C20H24N6O3 and molecular weight 396.19 g/mol. IUPAC: 9-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
Property Insights of 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
The XLogP value of -0.2219 indicates that 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-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 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
The CAS number of 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione is 380339-80-0.
What is the molecular formula of 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
The molecular formula of 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione is C20H24N6O3.
What is the molecular weight of 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
The molecular weight of 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione is 396.19 g/mol.
Where can I buy 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
You can request a quote for 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-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 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.