7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 359697-77-1) is a chemical compound with molecular formula C20H26N6O2 and molecular weight 382.21 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)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione, 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione, 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H26N6O2 |
|---|---|
| Molecular Weight | 382.21 g/mol |
| LogP | 0.6239 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.21173 |
| Heavy Atoms | 28 |
| Complexity | 1103.6569 |
Chemical Identifiers
| CAS Number | 359697-77-1 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
Product Overview
7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 359697-77-1), with molecular formula C20H26N6O2 and molecular weight 382.21 g/mol. IUPAC: 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.6239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-benzyl-8-(4-ethylpiperazin-1-yl)-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)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-benzyl-8-(4-ethylpiperazin-1-yl)-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)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 359697-77-1.
What is the molecular formula of 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C20H26N6O2.
What is the molecular weight of 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 382.21 g/mol.
Where can I buy 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-benzyl-8-(4-ethylpiperazin-1-yl)-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)-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)-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.