![7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/851/851937-76-3.png)
7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 851937-76-3) is a chemical compound with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-purine-2,6-dione, 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione, 7-benzyl-8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-BENZYL-8-[(4-ETHYLPIPERAZIN-1-YL)METHYL]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C21H28N6O2 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 0.6195 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.2274 |
| Heavy Atoms | 29 |
| Complexity | 1120.0093 |
Chemical Identifiers
| CAS Number | 851937-76-3 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
Product Overview
7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 851937-76-3), with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol. IUPAC: 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.6195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-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 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 851937-76-3.
What is the molecular formula of 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C21H28N6O2.
What is the molecular weight of 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 396.23 g/mol.
Where can I buy 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-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 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.