![8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/372/372501-55-8.png)
8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 372501-55-8) is a chemical compound with molecular formula C13H18N4O3S and molecular weight 310.11 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-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 8-((2-hydroxyethyl)thio)-1,3-dimethyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione, 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione, 8-((2-HO-ET)THIO)-1,3-DI-ME-7-(2-ME-2-PROPENYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C13H18N4O3S |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 0.0942 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.10995 |
| Heavy Atoms | 21 |
| Complexity | 815.4014 |
Chemical Identifiers
| CAS Number | 372501-55-8 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C |
Product Overview
8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 372501-55-8), with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol. IUPAC: 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.0942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-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-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-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-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 372501-55-8.
What is the molecular formula of 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione is C13H18N4O3S.
What is the molecular weight of 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 310.11 g/mol.
Where can I buy 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-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-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.