Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)-
TL;DR: Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)- (CAS 104802-80-4) is a chemical compound with molecular formula C9H13N5OS and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-methyl-2-methylsulfanylpurin-6-yl)amino]ethanol
Also Known As: 2-Methylthio-6-hydroxyethylamino-7-methylpurine, Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)-, 2-((7-Methyl-2-(methylthio)-7H-purin-6-yl)amino)ethanol, 2-[(7-methyl-2-methylsulfanylpurin-6-yl)amino]ethanol, 2-{[7-Methyl-2-(methylsulfanyl)-7H-purin-6-yl]amino}ethan-1-ol
| Molecular Formula | C9H13N5OS |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 0.4894 |
| Topological Polar Surface Area | 75.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.08408 |
| Heavy Atoms | 16 |
| Complexity | 497.85016 |
Chemical Identifiers
| CAS Number | 104802-80-4 |
|---|---|
| SMILES | CN1C=NC2=C1C(=NC(=N2)SC)NCCO |
Product Overview
Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)- (CAS 104802-80-4), with molecular formula C9H13N5OS and molecular weight 239.08 g/mol. IUPAC: 2-[(7-methyl-2-methylsulfanylpurin-6-yl)amino]ethanol.
Chemical Property Profile of Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)-
Property Insights of Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)-
The XLogP value of 0.4894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)-. The TPSA of 75.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)-. Following Lipinski's Rule of Five, Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)- 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 Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)-?
The CAS number of Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)- is 104802-80-4.
What is the molecular formula of Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)-?
The molecular formula of Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)- is C9H13N5OS.
What is the molecular weight of Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)-?
The molecular weight of Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)- is 239.08 g/mol.
Where can I buy Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)-?
You can request a quote for Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-((7-methyl-2-(methylthio)-7H-purin-6-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.