![7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione structure](/static/products/310/310440-86-9.png)
7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione
TL;DR: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione (CAS 310440-86-9) is a chemical compound with molecular formula C19H19BrN6O2 and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione, 7-(3-BR-BENZYL)-8-(3,5-DIMETHYL-PYRAZOL-1-YL)-1,3-DI-ME-3,7-2H-PURINE-2,6-DIONE, 7-(3-bromobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-(3-bromobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-bromophenyl)methyl]-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C19H19BrN6O2 |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.0753 |
| Heavy Atoms | 28 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 310440-86-9 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(N2CC4=CC(=CC=C4)Br)C(=O)N(C(=O)N3C)C)C |
| InChIKey | WNLQRDVKHXHNEV-UHFFFAOYSA-N |
Product Overview
7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione (CAS 310440-86-9), with molecular formula C19H19BrN6O2 and molecular weight 442.08 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione
Property Insights of 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione
The XLogP value of 3.0 indicates that 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione has 0 hydrogen bond donor(s) and 4 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-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione?
The CAS number of 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione is 310440-86-9.
What is the molecular formula of 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione?
The molecular formula of 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione is C19H19BrN6O2.
What is the molecular weight of 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione?
The molecular weight of 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione is 442.08 g/mol.
Where can I buy 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione?
You can request a quote for 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-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 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.