6-Thio-8-(undecylthio)-theophylline
TL;DR: 6-Thio-8-(undecylthio)-theophylline (CAS 6493-36-3) is a chemical compound with molecular formula C18H30N4OS2 and molecular weight 382.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-6-sulfanylidene-8-undecylsulfanyl-7H-purin-2-one
Also Known As: 6-Thio-8-undecylthiotheophylline, Theophylline, 6-thio-8-undecylthio-, Theophylline, 6-thio-(8-undecylthio)-, 6-Thio-8-(undecylthio)theophylline, 6-Thio-8-(undecylthio)-theophylline
| Molecular Formula | C18H30N4OS2 |
|---|---|
| Molecular Weight | 382.19 g/mol |
| LogP | 4.95249 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 382.1861 |
| Heavy Atoms | 25 |
| Complexity | 790.69556 |
Chemical Identifiers
| CAS Number | 6493-36-3 |
|---|---|
| SMILES | CCCCCCCCCCCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C |
Product Overview
6-Thio-8-(undecylthio)-theophylline (CAS 6493-36-3), with molecular formula C18H30N4OS2 and molecular weight 382.19 g/mol. IUPAC: 1,3-dimethyl-6-sulfanylidene-8-undecylsulfanyl-7H-purin-2-one.
Chemical Property Profile of 6-Thio-8-(undecylthio)-theophylline
Property Insights of 6-Thio-8-(undecylthio)-theophylline
The XLogP value of 4.95249 indicates that 6-Thio-8-(undecylthio)-theophylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, 6-Thio-8-(undecylthio)-theophylline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Thio-8-(undecylthio)-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 6-Thio-8-(undecylthio)-theophylline?
The CAS number of 6-Thio-8-(undecylthio)-theophylline is 6493-36-3.
What is the molecular formula of 6-Thio-8-(undecylthio)-theophylline?
The molecular formula of 6-Thio-8-(undecylthio)-theophylline is C18H30N4OS2.
What is the molecular weight of 6-Thio-8-(undecylthio)-theophylline?
The molecular weight of 6-Thio-8-(undecylthio)-theophylline is 382.19 g/mol.
Where can I buy 6-Thio-8-(undecylthio)-theophylline?
You can request a quote for 6-Thio-8-(undecylthio)-theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Thio-8-(undecylthio)-theophylline?
Yes, KEHONG BIO provides custom synthesis services for 6-Thio-8-(undecylthio)-theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.