![8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/327/327098-60-2.png)
8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 327098-60-2) is a chemical compound with molecular formula C22H19BrN4O5 and molecular weight 498.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzodioxol-5-ylmethoxy)-7-[(4-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(1,3-benzodioxol-5-ylmethoxy)-7-[(4-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-(benzo[1,3]dioxol-5-ylmethoxy)-7-[(4-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
| Molecular Formula | C22H19BrN4O5 |
|---|---|
| Molecular Weight | 498.05 g/mol |
| LogP | 2.5522 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.0539 |
| Heavy Atoms | 32 |
| Complexity | 1452.6858 |
Chemical Identifiers
| CAS Number | 327098-60-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)Br |
Product Overview
8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 327098-60-2), with molecular formula C22H19BrN4O5 and molecular weight 498.05 g/mol. IUPAC: 8-(1,3-benzodioxol-5-ylmethoxy)-7-[(4-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.5522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 327098-60-2.
What is the molecular formula of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H19BrN4O5.
What is the molecular weight of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 498.05 g/mol.
Where can I buy 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-7-(4-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.