![7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione structure](/static/products/887/887682-44-2.png)
7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione
TL;DR: 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione (CAS 887682-44-2) is a chemical compound with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione
Also Known As: ASN 13314297, AB01258505-02, 7-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione, 7-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-7-{3-oxo-3-[4-benzylpiperazinyl]propyl}-1,3,7-trihydropurine-2,6- dione
| Molecular Formula | C21H26N6O3 |
|---|---|
| Molecular Weight | 410.21 g/mol |
| LogP | 0.1682 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.20663 |
| Heavy Atoms | 30 |
| Complexity | 1169.1553 |
Chemical Identifiers
| CAS Number | 887682-44-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione (CAS 887682-44-2), with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol. IUPAC: 7-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione
Property Insights of 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione
The XLogP value of 0.1682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-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 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione?
The CAS number of 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione is 887682-44-2.
What is the molecular formula of 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione?
The molecular formula of 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione is C21H26N6O3.
What is the molecular weight of 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione?
The molecular weight of 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione is 410.21 g/mol.
Where can I buy 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione?
You can request a quote for 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-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 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[3-(4-Benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.