8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione
TL;DR: 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione (CAS 108950-58-9) is a chemical compound with molecular formula C13H16N6O2 and molecular weight 288.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione, A1793/0075963, 8-(3,5-dimethylpyrazolyl)-1,3,7-trimethyl-1,3,7-trihydropurine-2,6-dione, 1H-Purine-2,6-dione, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-duhydro-1,3,7-trimethyl-, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C13H16N6O2 |
|---|---|
| Molecular Weight | 288.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.13348 |
| Heavy Atoms | 21 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 108950-58-9 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C |
| InChIKey | MYDGNXVFYRZQHD-UHFFFAOYSA-N |
Product Overview
8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione (CAS 108950-58-9), with molecular formula C13H16N6O2 and molecular weight 288.13 g/mol. IUPAC: 8-(3,5-dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione
Property Insights of 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-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 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione?
The CAS number of 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione is 108950-58-9.
What is the molecular formula of 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione?
The molecular formula of 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione is C13H16N6O2.
What is the molecular weight of 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione?
The molecular weight of 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione is 288.13 g/mol.
Where can I buy 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione?
You can request a quote for 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-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)-1,3,7-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,5-Dimethylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.