6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione
TL;DR: 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione (CAS 123180-21-2) is a chemical compound with molecular formula C12H12N4O3 and molecular weight 260.09094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-methoxyphenyl)-5,6,7,9-tetrahydro-1H-purine-2,8-dione
Also Known As: 6-(4-methoxyphenyl)-5,6,7,9-tetrahydro-1H-purine-2,8-dione, 6-(4-methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione, 6-(4-methoxyphenyl)-5,7-dihydro-1H-purine-2,8(6H,9H)-dione
Technical Specifications
| Molecular Formula | C12H12N4O3 |
| Molecular Weight | 260.09094 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 91.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.09094 Da |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
| SMILES | COC1=CC=C(C=C1)C2C3C(=NC(=O)N2)NC(=O)N3 |
| InChIKey | DOYPDDPXMWLCFS-UHFFFAOYSA-N |
Chemical Property Profile of 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione
Property Insights of 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione
The XLogP value of -0.1 indicates that 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione. Following Lipinski's Rule of Five, 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione?
The CAS number of 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione is 123180-21-2.
What is the molecular formula of 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione?
The molecular formula of 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione is C12H12N4O3.
What is the molecular weight of 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione?
The molecular weight of 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione is 260.09094 g/mol.
Where can I buy 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione?
You can request a quote for 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione?
Yes, CoreyChem provides custom synthesis services for 6-(4-Methoxyphenyl)-1,5,6,7-tetrahydropurine-2,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.