8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione)
TL;DR: 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione) (CAS 126118-65-8) is a chemical compound with molecular formula C18H22N8O4S and molecular weight 446.14847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-8-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-7-propylpurine-2,6-dione
Also Known As: 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione), 3-methyl-8-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-7-propylpurine-2,6-dione
Technical Specifications
| Molecular Formula | C18H22N8O4S |
| Molecular Weight | 446.14847 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.14847 Da |
| Heavy Atoms | 31 |
| Complexity | 722.0 |
| SMILES | CCCN1C2=C(N=C1SC3=NC4=C(N3CCC)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C |
| InChIKey | KEUMECBNEMBKBM-UHFFFAOYSA-N |
Chemical Property Profile of 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione)
Property Insights of 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione)
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione). The TPSA of 160.0 Ų indicates high polarity, suggesting 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione) has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione)?
The CAS number of 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione) is 126118-65-8.
What is the molecular formula of 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione)?
The molecular formula of 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione) is C18H22N8O4S.
What is the molecular weight of 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione)?
The molecular weight of 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione) is 446.14847 g/mol.
Where can I buy 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione)?
You can request a quote for 8,8'-thiobis(3-methyl-7-propyl-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 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione)?
Yes, CoreyChem provides custom synthesis services for 8,8'-thiobis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.