8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476480-42-9) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Also Known As: BAS 05914558, 8-((2-Hydroxyethyl)thio)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 8-((2-HO-ET)THIO)-1,3-DI-ME-7-(1-NAPHTHYLMETHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 1.7196 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 1297.5294 |
Chemical Identifiers
| CAS Number | 476480-42-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCO)CC3=CC=CC4=CC=CC=C43 |
Product Overview
8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476480-42-9), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.7196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-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-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione is 476480-42-9.
What is the molecular formula of 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione is C20H20N4O3S.
What is the molecular weight of 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione is 396.13 g/mol.
Where can I buy 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-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-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.