1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione
TL;DR: 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione (CAS 957262-22-5) is a chemical compound with molecular formula C19H20N6O2 and molecular weight 364.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione
Also Known As: ASN 12401435, 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)theobromine, 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione, 8-(3,5-dimethylpyrazolyl)-3,7-dimethyl-1-benzyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C19H20N6O2 |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | 1.28454 |
| Topological Polar Surface Area | 79.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.16476 |
| Heavy Atoms | 27 |
| Complexity | 1273.7542 |
Chemical Identifiers
| CAS Number | 957262-22-5 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C |
Product Overview
1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione (CAS 957262-22-5), with molecular formula C19H20N6O2 and molecular weight 364.16 g/mol. IUPAC: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione
Property Insights of 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione
The XLogP value of 1.28454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione. The TPSA of 79.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-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 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione?
The CAS number of 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione is 957262-22-5.
What is the molecular formula of 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione?
The molecular formula of 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione is C19H20N6O2.
What is the molecular weight of 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione?
The molecular weight of 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione is 364.16 g/mol.
Where can I buy 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione?
You can request a quote for 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-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 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.