8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione (CAS 476482-55-0) is a chemical compound with molecular formula C12H18N4O4S and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-hydroxypropylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: 8-((3-HO-PROPYL)THIO)-7-(2-METHOXYETHYL)-3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 6-hydroxy-8-[(3-hydroxypropyl)sulfanyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one, 8-(3-hydroxypropylsulfanyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione, 8-(3-hydroxypropylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione, 8-((3-Hydroxypropyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C12H18N4O4S |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | -0.4558 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.1049 |
| Heavy Atoms | 21 |
| Complexity | 733.15826 |
Chemical Identifiers
| CAS Number | 476482-55-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCO)CCOC |
Product Overview
8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione (CAS 476482-55-0), with molecular formula C12H18N4O4S and molecular weight 314.10 g/mol. IUPAC: 8-(3-hydroxypropylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -0.4558 indicates that 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 6 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-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione is 476482-55-0.
What is the molecular formula of 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione is C12H18N4O4S.
What is the molecular weight of 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione is 314.10 g/mol.
Where can I buy 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-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-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((3-HO-Propyl)thio)-7-(2-methoxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.