![8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione structure](/static/products/3782/378205-55-1.webp)
8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione
TL;DR: 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione (CAS 378205-55-1) is a chemical compound with molecular formula C21H27FN4O2S and molecular weight 418.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione
Also Known As: 8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione, 8-[(4-fluorophenyl)methylthio]-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione, 8-((4-fluorobenzyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione, 8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-7-octyl-purine-2,6-dione, 8-{[(4-fluorophenyl)methyl]sulfanyl}-3-methyl-7-octyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H27FN4O2S |
|---|---|
| Molecular Weight | 418.18 g/mol |
| LogP | 4.2152 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 418.18387 |
| Heavy Atoms | 29 |
| Complexity | 1069.2051 |
Chemical Identifiers
| CAS Number | 378205-55-1 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)NC2=O)C |
Product Overview
8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione (CAS 378205-55-1), with molecular formula C21H27FN4O2S and molecular weight 418.18 g/mol. IUPAC: 8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione.
Chemical Property Profile of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione
Property Insights of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione
The XLogP value of 4.2152 indicates that 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione?
The CAS number of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione is 378205-55-1.
What is the molecular formula of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione?
The molecular formula of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione is C21H27FN4O2S.
What is the molecular weight of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione?
The molecular weight of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione is 418.18 g/mol.
Where can I buy 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione?
You can request a quote for 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-octylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.