8-(Decylthio)-theophylline
TL;DR: 8-(Decylthio)-theophylline (CAS 25837-29-0) is a chemical compound with molecular formula C17H28N4O2S and molecular weight 352.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-decylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-(Decylthio)theophylline, Theophylline, 8-(decylthio)-, 8-(Decylthio)-theophylline, 8-(Decylthio)theophyline, 8-decylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
| Molecular Formula | C17H28N4O2S |
|---|---|
| Molecular Weight | 352.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 352.1933 |
| Heavy Atoms | 24 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 25837-29-0 |
|---|---|
| SMILES | CCCCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | GYGNUNLWTDHSHZ-UHFFFAOYSA-N |
Product Overview
8-(Decylthio)-theophylline (CAS 25837-29-0), with molecular formula C17H28N4O2S and molecular weight 352.19 g/mol. IUPAC: 8-decylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(Decylthio)-theophylline
Property Insights of 8-(Decylthio)-theophylline
The XLogP value of 5.0 indicates that 8-(Decylthio)-theophylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Decylthio)-theophylline. Following Lipinski's Rule of Five, 8-(Decylthio)-theophylline 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 8-(Decylthio)-theophylline?
The CAS number of 8-(Decylthio)-theophylline is 25837-29-0.
What is the molecular formula of 8-(Decylthio)-theophylline?
The molecular formula of 8-(Decylthio)-theophylline is C17H28N4O2S.
What is the molecular weight of 8-(Decylthio)-theophylline?
The molecular weight of 8-(Decylthio)-theophylline is 352.19 g/mol.
Where can I buy 8-(Decylthio)-theophylline?
You can request a quote for 8-(Decylthio)-theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Decylthio)-theophylline?
Yes, KEHONG BIO provides custom synthesis services for 8-(Decylthio)-theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.