7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione
TL;DR: 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione (CAS 374549-44-7) is a chemical compound with molecular formula C22H30N4O2S and molecular weight 414.20895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione
Also Known As: 7-benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione, 7-benzyl-1,3-dimethyl-8-octylsulfanyl-purine-2,6-dione, 1,3-dimethyl-8-octylthio-7-benzyl-1,3,7-trihydropurine-2,6-dione, 7-benzyl-1,3-dimethyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-benzyl-1,3-dimethyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione
Technical Specifications
| Molecular Formula | C22H30N4O2S |
| Molecular Weight | 414.20895 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 414.20895 Da |
| Heavy Atoms | 29 |
| Complexity | 555.0 |
| SMILES | CCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C |
| InChIKey | ICBLXYYBKTUEED-UHFFFAOYSA-N |
Chemical Property Profile of 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione
Property Insights of 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione
The XLogP value of 5.4 indicates that 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-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 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione?
The CAS number of 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione is 374549-44-7.
What is the molecular formula of 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione?
The molecular formula of 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione is C22H30N4O2S.
What is the molecular weight of 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione?
The molecular weight of 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione is 414.20895 g/mol.
Where can I buy 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione?
You can request a quote for 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 7-Benzyl-1,3-dimethyl-8-octylsulfanylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.