![7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione structure](/static/products/839/839680-37-4.png)
7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione
TL;DR: 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione (CAS 839680-37-4) is a chemical compound with molecular formula C25H28N6O2 and molecular weight 444.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione
Also Known As: 7-benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione, F0634-0085, 7-benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-7-benzyl-8-[(4-phenylpiperazinyl)methyl]-1,3,7-trihydropurine-2,6 -dione
| Molecular Formula | C25H28N6O2 |
|---|---|
| Molecular Weight | 444.23 g/mol |
| LogP | 1.8042 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.2274 |
| Heavy Atoms | 33 |
| Complexity | 1379.9324 |
Chemical Identifiers
| CAS Number | 839680-37-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5 |
Product Overview
7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione (CAS 839680-37-4), with molecular formula C25H28N6O2 and molecular weight 444.23 g/mol. IUPAC: 7-benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione
Property Insights of 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione
The XLogP value of 1.8042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]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-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione?
The CAS number of 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione is 839680-37-4.
What is the molecular formula of 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione?
The molecular formula of 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione is C25H28N6O2.
What is the molecular weight of 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione?
The molecular weight of 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione is 444.23 g/mol.
Where can I buy 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione?
You can request a quote for 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]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-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.