7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 301353-76-4) is a chemical compound with molecular formula C18H18N6O2 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione
Also Known As: BAS 00340022, 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione, 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione, 7-benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H18N6O2 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.1491 |
| Heavy Atoms | 26 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 301353-76-4 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C)C |
| InChIKey | JLSXMADFDRGGIB-UHFFFAOYSA-N |
Product Overview
7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 301353-76-4), with molecular formula C18H18N6O2 and molecular weight 350.15 g/mol. IUPAC: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione has 1 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-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione is 301353-76-4.
What is the molecular formula of 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione is C18H18N6O2.
What is the molecular weight of 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione is 350.15 g/mol.
Where can I buy 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-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 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.