8-(Decylthio)-caffeine
TL;DR: 8-(Decylthio)-caffeine (CAS 25837-26-7) is a chemical compound with molecular formula C18H30N4O2S and molecular weight 366.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-decylsulfanyl-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-(Decylthio)caffeine, 8-(Decylthio)-caffeine, CAFFEINE, 8-(DECYLTHIO)-, 8-decylsulfanyl-1,3,7-trimethylpurine-2,6-dione, 8-(DECYLTHIO)-3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
| Molecular Formula | C18H30N4O2S |
|---|---|
| Molecular Weight | 366.21 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 366.20895 |
| Heavy Atoms | 25 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 25837-26-7 |
|---|---|
| SMILES | CCCCCCCCCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C |
| InChIKey | BVEBFAGNKHKOOC-UHFFFAOYSA-N |
Product Overview
8-(Decylthio)-caffeine (CAS 25837-26-7), with molecular formula C18H30N4O2S and molecular weight 366.21 g/mol. IUPAC: 8-decylsulfanyl-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(Decylthio)-caffeine
Property Insights of 8-(Decylthio)-caffeine
The XLogP value of 4.9 indicates that 8-(Decylthio)-caffeine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Decylthio)-caffeine. Following Lipinski's Rule of Five, 8-(Decylthio)-caffeine has 0 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 8-(Decylthio)-caffeine?
The CAS number of 8-(Decylthio)-caffeine is 25837-26-7.
What is the molecular formula of 8-(Decylthio)-caffeine?
The molecular formula of 8-(Decylthio)-caffeine is C18H30N4O2S.
What is the molecular weight of 8-(Decylthio)-caffeine?
The molecular weight of 8-(Decylthio)-caffeine is 366.21 g/mol.
Where can I buy 8-(Decylthio)-caffeine?
You can request a quote for 8-(Decylthio)-caffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Decylthio)-caffeine?
Yes, KEHONG BIO provides custom synthesis services for 8-(Decylthio)-caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.