8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-54-2) is a chemical compound with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzylsulfanyl-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 04914650, 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00147672-04, 8-benzylsulfanyl-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione, F1191-0042
| Molecular Formula | C17H20N4O3S |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 1.7521 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.1256 |
| Heavy Atoms | 25 |
| Complexity | 975.20703 |
Chemical Identifiers
| CAS Number | 442864-54-2 |
|---|---|
| SMILES | CCOCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-54-2), with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol. IUPAC: 8-benzylsulfanyl-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.7521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(benzylthio)-7-(2-ethoxyethyl)-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 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(benzylthio)-7-(2-ethoxyethyl)-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 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 442864-54-2.
What is the molecular formula of 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C17H20N4O3S.
What is the molecular weight of 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 360.13 g/mol.
Where can I buy 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(benzylthio)-7-(2-ethoxyethyl)-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 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(benzylthio)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.