8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione (CAS 476481-22-8) is a chemical compound with molecular formula C25H21FN4O2S and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Also Known As: 8-((4-Fluorobenzyl)thio)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 8-((4-F-BENZYL)THIO)-1,3-DI-ME-7-(1-NAPHTHYL-ME)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione, 8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 631-997-6
| Molecular Formula | C25H21FN4O2S |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 4.0666 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.13693 |
| Heavy Atoms | 33 |
| Complexity | 1611.4069 |
Chemical Identifiers
| CAS Number | 476481-22-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC=CC5=CC=CC=C54 |
Product Overview
8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione (CAS 476481-22-8), with molecular formula C25H21FN4O2S and molecular weight 460.14 g/mol. IUPAC: 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 4.0666 indicates that 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-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
Frequently Asked Questions
What is the CAS number of 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione is 476481-22-8.
What is the molecular formula of 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione is C25H21FN4O2S.
What is the molecular weight of 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione is 460.14 g/mol.
Where can I buy 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-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-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-F-Benzyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.