1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 374706-20-4) is a chemical compound with molecular formula C15H16N4O3 and molecular weight 300.12225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-methoxyphenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(4-methoxyphenyl)methyl]-3,7-dimethylpurine-2,6-dione, 1-(4-methoxybenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C15H16N4O3 |
| Molecular Weight | 300.12225 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.12225 Da |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)OC |
| InChIKey | QRQPPBPAPIHUID-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-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
What is the CAS number of 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 374706-20-4.
What is the molecular formula of 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C15H16N4O3.
What is the molecular weight of 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 300.12225 g/mol.
Where can I buy 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for 1-(4-methoxybenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.