![8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione structure](/static/products/879/879474-60-9.png)
8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione
TL;DR: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione (CAS 879474-60-9) is a chemical compound with molecular formula C21H24N6O4 and molecular weight 424.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione, 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-xanthine, 8-(3,5-dimethyl-1-pyrazolyl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H24N6O4 |
|---|---|
| Molecular Weight | 424.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.1859 |
| Heavy Atoms | 31 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 879474-60-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)NC3=O)C)O |
| InChIKey | WMGJYLDWZMJLID-UHFFFAOYSA-N |
Product Overview
8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione (CAS 879474-60-9), with molecular formula C21H24N6O4 and molecular weight 424.19 g/mol. IUPAC: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione
Property Insights of 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione has 2 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-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione?
The CAS number of 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione is 879474-60-9.
What is the molecular formula of 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione?
The molecular formula of 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione is C21H24N6O4.
What is the molecular weight of 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione?
The molecular weight of 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione is 424.19 g/mol.
Where can I buy 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione?
You can request a quote for 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-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 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,5-dimethylpyrazol-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.