8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 145351-63-9) is a chemical compound with molecular formula C12H14N6O2 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione
Also Known As: 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione, 8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C12H14N6O2 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.11783 |
| Heavy Atoms | 20 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 145351-63-9 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(N2C)C(=O)NC(=O)N3C)C |
| InChIKey | PJOAXYKGWZLCKO-UHFFFAOYSA-N |
Product Overview
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 145351-63-9), with molecular formula C12H14N6O2 and molecular weight 274.12 g/mol. IUPAC: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-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-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 145351-63-9.
What is the molecular formula of 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C12H14N6O2.
What is the molecular weight of 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 274.12 g/mol.
Where can I buy 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-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-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.