![1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione structure](/static/products/3133/313376-64-6.webp)
1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione
TL;DR: 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione (CAS 313376-64-6) is a chemical compound with molecular formula C14H13BrN4O2 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: ChemDiv1_021227, BIM-0032729.P001, AB01283588-01, 1-[(4-bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione, 1-(4-bromobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H13BrN4O2 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 1.2445 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.0222 |
| Heavy Atoms | 21 |
| Complexity | 934.4929 |
Chemical Identifiers
| CAS Number | 313376-64-6 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br |
Product Overview
1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione (CAS 313376-64-6), with molecular formula C14H13BrN4O2 and molecular weight 348.02 g/mol. IUPAC: 1-[(4-bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Property Insights of 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione
The XLogP value of 1.2445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione has 0 hydrogen bond donor(s) and 3 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-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione?
The CAS number of 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione is 313376-64-6.
What is the molecular formula of 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione?
The molecular formula of 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione is C14H13BrN4O2.
What is the molecular weight of 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione?
The molecular weight of 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione is 348.02 g/mol.
Where can I buy 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione?
You can request a quote for 1-[(4-Bromophenyl)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-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.