8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476482-64-1) 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-(2-methoxyethylsulfanyl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 05968933, UPCMLD0ENAT5732004:001, 8-((2-methoxyethyl)thio)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 8-((2-METHOXYETHYL)THIO)-3-ME-7-(3-METHYLBENZYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-(2-methoxyethylsulfanyl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
| Molecular Formula | C17H20N4O3S |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 1.51852 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.1256 |
| Heavy Atoms | 25 |
| Complexity | 1018.8854 |
Chemical Identifiers
| CAS Number | 476482-64-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCCOC)N(C(=O)NC3=O)C |
Product Overview
8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476482-64-1), with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol. IUPAC: 8-(2-methoxyethylsulfanyl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.51852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-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-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is 476482-64-1.
What is the molecular formula of 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is C17H20N4O3S.
What is the molecular weight of 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is 360.13 g/mol.
Where can I buy 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-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-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-Methoxyethyl)thio)-3-ME-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.