1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione (CAS 476480-14-5) is a chemical compound with molecular formula C18H22N4O2S and molecular weight 358.14636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-propylsulfanylpurine-2,6-dione
Also Known As: 1,3-DIMETHYL-7-(4-METHYLBENZYL)-8-(PROPYLTHIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-propylsulfanylpurine-2,6-dione, 1,3-dimethyl-7-(4-methylbenzyl)-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-1H-purine-2,6(3H,7H)-dione, 633-517-0
Technical Specifications
| Molecular Formula | C18H22N4O2S |
| Molecular Weight | 358.14636 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.14636 Da |
| Heavy Atoms | 25 |
| Complexity | 509.0 |
| SMILES | CCCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)N(C(=O)N2C)C |
| InChIKey | HTVQQOPIPCYOMJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.3 indicates that 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-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
What is the CAS number of 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione is 476480-14-5.
What is the molecular formula of 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione is C18H22N4O2S.
What is the molecular weight of 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione is 358.14636 g/mol.
Where can I buy 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 1,3-Dimethyl-7-(4-methylbenzyl)-8-(propylthio)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.