2-Propanone, (purin-6-ylthio)-
TL;DR: 2-Propanone, (purin-6-ylthio)- (CAS 5441-78-1) is a chemical compound with molecular formula C8H8N4OS and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7H-purin-6-ylsulfanyl)propan-2-one
Also Known As: 2-Propanone, (purin-6-ylthio)-, 6-acetylmethylthiopurine, 2-Propanone,6-purinylthio), 2-Propanone, 6-purinylthio)-, 1-(7H-purin-6-ylsulfanyl)propan-2-one
| Molecular Formula | C8H8N4OS |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.04189 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 5441-78-1 |
|---|---|
| SMILES | CC(=O)CSC1=NC=NC2=C1NC=N2 |
| InChIKey | RSMPCQAGEDQKEV-UHFFFAOYSA-N |
Product Overview
2-Propanone, (purin-6-ylthio)- (CAS 5441-78-1), with molecular formula C8H8N4OS and molecular weight 208.04 g/mol. IUPAC: 1-(7H-purin-6-ylsulfanyl)propan-2-one.
Chemical Property Profile of 2-Propanone, (purin-6-ylthio)-
Property Insights of 2-Propanone, (purin-6-ylthio)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, (purin-6-ylthio)-. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, (purin-6-ylthio)-. Following Lipinski's Rule of Five, 2-Propanone, (purin-6-ylthio)- 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 2-Propanone, (purin-6-ylthio)-?
The CAS number of 2-Propanone, (purin-6-ylthio)- is 5441-78-1.
What is the molecular formula of 2-Propanone, (purin-6-ylthio)-?
The molecular formula of 2-Propanone, (purin-6-ylthio)- is C8H8N4OS.
What is the molecular weight of 2-Propanone, (purin-6-ylthio)-?
The molecular weight of 2-Propanone, (purin-6-ylthio)- is 208.04 g/mol.
Where can I buy 2-Propanone, (purin-6-ylthio)-?
You can request a quote for 2-Propanone, (purin-6-ylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, (purin-6-ylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, (purin-6-ylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.