8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 359684-71-2) is a chemical compound with molecular formula C21H18N4O5 and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethylpurine-2,6-dione
Also Known As: 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethylpurine-2,6-dione, 8-(benzo[d][1,3]dioxol-5-yloxy)-7-benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(2H-1,3-BENZODIOXOL-5-YLOXY)-7-BENZYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C21H18N4O5 |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 2.003 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.12772 |
| Heavy Atoms | 30 |
| Complexity | 1384.777 |
Chemical Identifiers
| CAS Number | 359684-71-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5 |
Product Overview
8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 359684-71-2), with molecular formula C21H18N4O5 and molecular weight 406.13 g/mol. IUPAC: 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 6 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 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 359684-71-2.
What is the molecular formula of 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C21H18N4O5.
What is the molecular weight of 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 406.13 g/mol.
Where can I buy 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-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 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1,3-benzodioxol-5-yloxy)-7-benzyl-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.