8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 377052-75-0) is a chemical compound with molecular formula C22H21FN4O2S and molecular weight 424.14 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-(3-phenylpropyl)purine-2,6-dione
Also Known As: Salor-int l217387-1ea, BAS 03058567, AB01289155-01, 8-((4-Fluorobenzyl)thio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, 8-((4-FLUOROBENZYL)THIO)-3-ME-7-(3-PHENYLPROPYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H21FN4O2S |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 3.4875 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.13693 |
| Heavy Atoms | 30 |
| Complexity | 1276.9794 |
Chemical Identifiers
| CAS Number | 377052-75-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)F)CCCC4=CC=CC=C4 |
Product Overview
8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 377052-75-0), with molecular formula C22H21FN4O2S and molecular weight 424.14 g/mol. IUPAC: 8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.4875 indicates that 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-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-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-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-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione is 377052-75-0.
What is the molecular formula of 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione is C22H21FN4O2S.
What is the molecular weight of 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione is 424.14 g/mol.
Where can I buy 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-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-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-Fluorobenzyl)thio)-3-ME-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.