8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione (CAS 385391-64-0) is a chemical compound with molecular formula C18H21FN4O2S and molecular weight 376.14 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-pentylpurine-2,6-dione
Also Known As: BAS 03819173, 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione, AB00673538-01, F1167-0117, 8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-7-pentylpurine-2,6-dione
| Molecular Formula | C18H21FN4O2S |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 3.0449 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.13693 |
| Heavy Atoms | 26 |
| Complexity | 1020.57764 |
Chemical Identifiers
| CAS Number | 385391-64-0 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)NC2=O)C |
Product Overview
8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione (CAS 385391-64-0), with molecular formula C18H21FN4O2S and molecular weight 376.14 g/mol. IUPAC: 8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-7-pentylpurine-2,6-dione.
Chemical Property Profile of 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.0449 indicates that 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-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-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-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-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione is 385391-64-0.
What is the molecular formula of 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione is C18H21FN4O2S.
What is the molecular weight of 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione is 376.14 g/mol.
Where can I buy 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-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-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-fluorobenzyl)thio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.