7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-69-9) is a chemical compound with molecular formula C17H19FN4O3S and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-ethoxyethyl)-8-[(4-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione
Also Known As: BAS 04914676, 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00432387-04, F1191-0068, 7-(2-ethoxyethyl)-8-[(4-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione
| Molecular Formula | C17H19FN4O3S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 1.8912 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.11618 |
| Heavy Atoms | 26 |
| Complexity | 1023.39453 |
Chemical Identifiers
| CAS Number | 442864-69-9 |
|---|---|
| SMILES | CCOCCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)NC2=O)C |
Product Overview
7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-69-9), with molecular formula C17H19FN4O3S and molecular weight 378.12 g/mol. IUPAC: 7-(2-ethoxyethyl)-8-[(4-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.8912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 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 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 442864-69-9.
What is the molecular formula of 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is C17H19FN4O3S.
What is the molecular weight of 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 378.12 g/mol.
Where can I buy 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-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 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-ethoxyethyl)-8-((4-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.