9-hexyl-3H-purine-6-thione
TL;DR: 9-hexyl-3H-purine-6-thione (CAS 23126-85-4) is a chemical compound with molecular formula C11H16N4S and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-hexyl-3H-purine-6-thione
Also Known As: 9-hexyl-3H-purine-6-thione, 9-Hexyl-3,9-dihydro-6H-purine-6-thione, 6H-Purine-6-thione, 9-hexyl-1,9-dihydro-
| Molecular Formula | C11H16N4S |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 3.06919 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.10957 |
| Heavy Atoms | 16 |
| Complexity | 513.9241 |
Chemical Identifiers
| CAS Number | 23126-85-4 |
|---|---|
| SMILES | CCCCCCN1C=NC2=C1NC=NC2=S |
Product Overview
9-hexyl-3H-purine-6-thione (CAS 23126-85-4), with molecular formula C11H16N4S and molecular weight 236.11 g/mol. IUPAC: 9-hexyl-3H-purine-6-thione.
Chemical Property Profile of 9-hexyl-3H-purine-6-thione
Property Insights of 9-hexyl-3H-purine-6-thione
The XLogP value of 3.06919 indicates that 9-hexyl-3H-purine-6-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 9-hexyl-3H-purine-6-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-hexyl-3H-purine-6-thione has 1 hydrogen bond donor(s) and 3 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 9-hexyl-3H-purine-6-thione?
The CAS number of 9-hexyl-3H-purine-6-thione is 23126-85-4.
What is the molecular formula of 9-hexyl-3H-purine-6-thione?
The molecular formula of 9-hexyl-3H-purine-6-thione is C11H16N4S.
What is the molecular weight of 9-hexyl-3H-purine-6-thione?
The molecular weight of 9-hexyl-3H-purine-6-thione is 236.11 g/mol.
Where can I buy 9-hexyl-3H-purine-6-thione?
You can request a quote for 9-hexyl-3H-purine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-hexyl-3H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-hexyl-3H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.