2,6-Dithio-8-propylthiotheophylline
TL;DR: 2,6-Dithio-8-propylthiotheophylline (CAS 6616-05-3) is a chemical compound with molecular formula C10H14N4S3 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-propylsulfanyl-7H-purine-2,6-dithione
Also Known As: Theophylline, 8-(propylthio)dithio-, 2,6-Dithio-8-propylthiotheophylline, NCIOpen2_006258, Theophylline, 2,6-dithio-8-propylthio-, 2,6-Dithio-8-(N-propylthio)theophylline
| Molecular Formula | C10H14N4S3 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 3.20098 |
| Topological Polar Surface Area | 38.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.03806 |
| Heavy Atoms | 17 |
| Complexity | 664.46643 |
Chemical Identifiers
| CAS Number | 6616-05-3 |
|---|---|
| SMILES | CCCSC1=NC2=C(N1)C(=S)N(C(=S)N2C)C |
Product Overview
2,6-Dithio-8-propylthiotheophylline (CAS 6616-05-3), with molecular formula C10H14N4S3 and molecular weight 286.04 g/mol. IUPAC: 1,3-dimethyl-8-propylsulfanyl-7H-purine-2,6-dithione.
Chemical Property Profile of 2,6-Dithio-8-propylthiotheophylline
Property Insights of 2,6-Dithio-8-propylthiotheophylline
The XLogP value of 3.20098 indicates that 2,6-Dithio-8-propylthiotheophylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.54 Ų, 2,6-Dithio-8-propylthiotheophylline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dithio-8-propylthiotheophylline 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 2,6-Dithio-8-propylthiotheophylline?
The CAS number of 2,6-Dithio-8-propylthiotheophylline is 6616-05-3.
What is the molecular formula of 2,6-Dithio-8-propylthiotheophylline?
The molecular formula of 2,6-Dithio-8-propylthiotheophylline is C10H14N4S3.
What is the molecular weight of 2,6-Dithio-8-propylthiotheophylline?
The molecular weight of 2,6-Dithio-8-propylthiotheophylline is 286.04 g/mol.
Where can I buy 2,6-Dithio-8-propylthiotheophylline?
You can request a quote for 2,6-Dithio-8-propylthiotheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dithio-8-propylthiotheophylline?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dithio-8-propylthiotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.