2,6,8-tris(methylsulfanyl)-7H-purine
TL;DR: 2,6,8-tris(methylsulfanyl)-7H-purine (CAS 39013-71-3) is a chemical compound with molecular formula C8H10N4S3 and molecular weight 258.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,8-tris(methylsulfanyl)-7H-purine
Also Known As: 2,6,8-tris(methylsulfanyl)-7H-purine, 2,6,8-trimethylthiopurine, 9H-PURINE,2,6,8-TRIS(METHYLTHIO)-, RefChem:247979
| Molecular Formula | C8H10N4S3 |
|---|---|
| Molecular Weight | 258.01 g/mol |
| LogP | 2.5186 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.00677 |
| Heavy Atoms | 15 |
| Complexity | 481.93668 |
Chemical Identifiers
| CAS Number | 39013-71-3 |
|---|---|
| SMILES | CSC1=NC(=NC2=C1NC(=N2)SC)SC |
Product Overview
2,6,8-tris(methylsulfanyl)-7H-purine (CAS 39013-71-3), with molecular formula C8H10N4S3 and molecular weight 258.01 g/mol. IUPAC: 2,6,8-tris(methylsulfanyl)-7H-purine.
Chemical Property Profile of 2,6,8-tris(methylsulfanyl)-7H-purine
Property Insights of 2,6,8-tris(methylsulfanyl)-7H-purine
The XLogP value of 2.5186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,8-tris(methylsulfanyl)-7H-purine. With a topological polar surface area (TPSA) of 54.46 Ų, 2,6,8-tris(methylsulfanyl)-7H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,8-tris(methylsulfanyl)-7H-purine has 1 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 2,6,8-tris(methylsulfanyl)-7H-purine?
The CAS number of 2,6,8-tris(methylsulfanyl)-7H-purine is 39013-71-3.
What is the molecular formula of 2,6,8-tris(methylsulfanyl)-7H-purine?
The molecular formula of 2,6,8-tris(methylsulfanyl)-7H-purine is C8H10N4S3.
What is the molecular weight of 2,6,8-tris(methylsulfanyl)-7H-purine?
The molecular weight of 2,6,8-tris(methylsulfanyl)-7H-purine is 258.01 g/mol.
Where can I buy 2,6,8-tris(methylsulfanyl)-7H-purine?
You can request a quote for 2,6,8-tris(methylsulfanyl)-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,8-tris(methylsulfanyl)-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 2,6,8-tris(methylsulfanyl)-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.