8-(Decylthio)-2-thiotheophylline
TL;DR: 8-(Decylthio)-2-thiotheophylline (CAS 6466-10-0) is a chemical compound with molecular formula C17H28N4OS2 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-decylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Also Known As: Theophylline, 8-decylthio-2-thio-, 2-Thio-8-N-(decylthio)theophylline, 8-(Decylthio)-2-thiotheophylline, 2-Thio-8-n-decylthiotheophylline, 8-Decylthio-2-thiotheophylline
| Molecular Formula | C17H28N4OS2 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.17044 |
| Heavy Atoms | 24 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 6466-10-0 |
|---|---|
| SMILES | CCCCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C |
| InChIKey | QHQKXMOBJVNMNT-UHFFFAOYSA-N |
Product Overview
8-(Decylthio)-2-thiotheophylline (CAS 6466-10-0), with molecular formula C17H28N4OS2 and molecular weight 368.17 g/mol. IUPAC: 8-decylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one.
Chemical Property Profile of 8-(Decylthio)-2-thiotheophylline
Property Insights of 8-(Decylthio)-2-thiotheophylline
The XLogP value of 5.6 indicates that 8-(Decylthio)-2-thiotheophylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Decylthio)-2-thiotheophylline. Following Lipinski's Rule of Five, 8-(Decylthio)-2-thiotheophylline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(Decylthio)-2-thiotheophylline?
The CAS number of 8-(Decylthio)-2-thiotheophylline is 6466-10-0.
What is the molecular formula of 8-(Decylthio)-2-thiotheophylline?
The molecular formula of 8-(Decylthio)-2-thiotheophylline is C17H28N4OS2.
What is the molecular weight of 8-(Decylthio)-2-thiotheophylline?
The molecular weight of 8-(Decylthio)-2-thiotheophylline is 368.17 g/mol.
Where can I buy 8-(Decylthio)-2-thiotheophylline?
You can request a quote for 8-(Decylthio)-2-thiotheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Decylthio)-2-thiotheophylline?
Yes, KEHONG BIO provides custom synthesis services for 8-(Decylthio)-2-thiotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.