8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 189126-90-7) is a chemical compound with molecular formula C18H26N6O2 and molecular weight 358.21 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-heptyl-3-methylpurine-2,6-dione
Also Known As: 8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-heptyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(3,5-dimethylpyrazol-1-yl)-7-heptyl-3-methyl-purine-2,6-dione, 8-(3,5-dimethylpyrazol-1-yl)-7-heptyl-3-methylpurine-2,6-dione, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-heptyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one, 8-(3,5-DIMETHYL-PYRAZOL-1-YL)-7-HEPTYL-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
| Molecular Formula | C18H26N6O2 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 2.19624 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.21173 |
| Heavy Atoms | 26 |
| Complexity | 1036.5402 |
Chemical Identifiers
| CAS Number | 189126-90-7 |
|---|---|
| SMILES | CCCCCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C |
Product Overview
8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 189126-90-7), with molecular formula C18H26N6O2 and molecular weight 358.21 g/mol. IUPAC: 8-(3,5-dimethylpyrazol-1-yl)-7-heptyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 2.19624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-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 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione is 189126-90-7.
What is the molecular formula of 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione is C18H26N6O2.
What is the molecular weight of 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione is 358.21 g/mol.
Where can I buy 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-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 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,5-Dimethyl-pyrazol-1-YL)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.