![8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione structure](/static/products/4607/460725-53-5.webp)
8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
TL;DR: 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione (CAS 460725-53-5) is a chemical compound with molecular formula C15H15FN4O2S and molecular weight 334.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
Also Known As: TimTec1_006133, BAS 04373592, 8-[(4-fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione, A2977/0125478, 8-(4-Fluoro-benzylsulfanyl)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C15H15FN4O2S |
|---|---|
| Molecular Weight | 334.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.08997 |
| Heavy Atoms | 23 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 460725-53-5 |
|---|---|
| SMILES | CN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C |
| InChIKey | HGZQKVKWOSVDLJ-UHFFFAOYSA-N |
Product Overview
8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione (CAS 460725-53-5), with molecular formula C15H15FN4O2S and molecular weight 334.09 g/mol. IUPAC: 8-[(4-fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
Property Insights of 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione has 0 hydrogen bond donor(s) and 5 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]-1,3,7-trimethylpurine-2,6-dione?
The CAS number of 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione is 460725-53-5.
What is the molecular formula of 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione?
The molecular formula of 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione is C15H15FN4O2S.
What is the molecular weight of 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione?
The molecular weight of 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione is 334.09 g/mol.
Where can I buy 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione?
You can request a quote for 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-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]-1,3,7-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(4-Fluorophenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.