2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine
TL;DR: 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine (CAS 70682-27-8) is a chemical compound with molecular formula C14H14N4S3 and molecular weight 334.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,8-tris(methylsulfanyl)-9-phenylpurine
Also Known As: 2,6,8-tris(methylsulfanyl)-9-phenyl-9h-purine, 2,6,8-tris(methylsulfanyl)-9-phenylpurine, 4-(4-dimethylamino-benzylidenamino)-2-isopropyl-5-methyl-phenol
| Molecular Formula | C14H14N4S3 |
|---|---|
| Molecular Weight | 334.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.03806 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 70682-27-8 |
|---|---|
| SMILES | CSC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)SC)SC |
| InChIKey | YJUUTWYZQHINSV-UHFFFAOYSA-N |
Product Overview
2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine (CAS 70682-27-8), with molecular formula C14H14N4S3 and molecular weight 334.04 g/mol. IUPAC: 2,6,8-tris(methylsulfanyl)-9-phenylpurine.
Chemical Property Profile of 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine
Property Insights of 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine
The XLogP value of 4.2 indicates that 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine. Following Lipinski's Rule of Five, 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine has 0 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)-9-phenyl-9h-purine?
The CAS number of 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine is 70682-27-8.
What is the molecular formula of 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine?
The molecular formula of 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine is C14H14N4S3.
What is the molecular weight of 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine?
The molecular weight of 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine is 334.04 g/mol.
Where can I buy 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine?
You can request a quote for 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-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)-9-phenyl-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 2,6,8-Tris(methylsulfanyl)-9-phenyl-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.