6-(Phenyldithio)purine
TL;DR: 6-(Phenyldithio)purine (CAS 2958-91-0) is a chemical compound with molecular formula C11H8N4S2 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(phenyldisulfanyl)-7H-purine
Also Known As: 6-(Phenyldithio)purine, 6- purine, 6-(phenyldisulfanyl)-7H-purine, 6-(Phenyldisulfanyl)-9H-purine, 9H-Purine,6-(phenyldithio)-
| Molecular Formula | C11H8N4S2 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.01904 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 2958-91-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SSC2=NC=NC3=C2NC=N3 |
| InChIKey | WQJKHMQINFOCJI-UHFFFAOYSA-N |
Product Overview
6-(Phenyldithio)purine (CAS 2958-91-0), with molecular formula C11H8N4S2 and molecular weight 260.02 g/mol. IUPAC: 6-(phenyldisulfanyl)-7H-purine.
Chemical Property Profile of 6-(Phenyldithio)purine
Property Insights of 6-(Phenyldithio)purine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Phenyldithio)purine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Phenyldithio)purine. Following Lipinski's Rule of Five, 6-(Phenyldithio)purine 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 6-(Phenyldithio)purine?
The CAS number of 6-(Phenyldithio)purine is 2958-91-0.
What is the molecular formula of 6-(Phenyldithio)purine?
The molecular formula of 6-(Phenyldithio)purine is C11H8N4S2.
What is the molecular weight of 6-(Phenyldithio)purine?
The molecular weight of 6-(Phenyldithio)purine is 260.02 g/mol.
Where can I buy 6-(Phenyldithio)purine?
You can request a quote for 6-(Phenyldithio)purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Phenyldithio)purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Phenyldithio)purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.