![1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione structure](/static/products/7280/728031-06-9.webp)
1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione
TL;DR: 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione (CAS 728031-06-9) is a chemical compound with molecular formula C15H13BrN4O4 and molecular weight 392.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: A3870/0164452, 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione, 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-((6-bromobenzo[d][1,3]dioxol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)METHYL]-3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C15H13BrN4O4 |
|---|---|
| Molecular Weight | 392.01 g/mol |
| LogP | 0.9732 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.01202 |
| Heavy Atoms | 24 |
| Complexity | 1095.5178 |
Chemical Identifiers
| CAS Number | 728031-06-9 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC4=C(C=C3Br)OCO4 |
Product Overview
1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione (CAS 728031-06-9), with molecular formula C15H13BrN4O4 and molecular weight 392.01 g/mol. IUPAC: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione
Property Insights of 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione
The XLogP value of 0.9732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-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 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione?
The CAS number of 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione is 728031-06-9.
What is the molecular formula of 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione?
The molecular formula of 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione is C15H13BrN4O4.
What is the molecular weight of 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione?
The molecular weight of 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione is 392.01 g/mol.
Where can I buy 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione?
You can request a quote for 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-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 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.