6-(Octylthio)purine
TL;DR: 6-(Octylthio)purine (CAS 6974-89-6) is a chemical compound with molecular formula C13H20N4S and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-octylsulfanyl-7H-purine
Also Known As: 6-(Octylthio)purine, Purine, 6-(octylthio)-, 6-n-Octylmercaptopurine, Purine, 6-octylthio-, 1H-Purine, 6-(octylthio)-
| Molecular Formula | C13H20N4S |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.14087 |
| Heavy Atoms | 18 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 6974-89-6 |
|---|---|
| SMILES | CCCCCCCCSC1=NC=NC2=C1NC=N2 |
| InChIKey | YUEJEKKOQIRLNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(Octylthio)purine (CAS 6974-89-6), with molecular formula C13H20N4S and molecular weight 264.14 g/mol. IUPAC: 6-octylsulfanyl-7H-purine.
Chemical Property Profile of 6-(Octylthio)purine
Property Insights of 6-(Octylthio)purine
The XLogP value of 4.1 indicates that 6-(Octylthio)purine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Octylthio)purine. Following Lipinski's Rule of Five, 6-(Octylthio)purine has 1 hydrogen bond donor(s) and 4 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-(Octylthio)purine?
The CAS number of 6-(Octylthio)purine is 6974-89-6.
What is the molecular formula of 6-(Octylthio)purine?
The molecular formula of 6-(Octylthio)purine is C13H20N4S.
What is the molecular weight of 6-(Octylthio)purine?
The molecular weight of 6-(Octylthio)purine is 264.14 g/mol.
Where can I buy 6-(Octylthio)purine?
You can request a quote for 6-(Octylthio)purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Octylthio)purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Octylthio)purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.