3,7-Dimethyl-6-thioxanthine
TL;DR: 3,7-Dimethyl-6-thioxanthine (CAS 38759-03-4) is a chemical compound with molecular formula C7H8N4OS and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-6-sulfanylidenepurin-2-one
Also Known As: starbld0030853, 3,7-Dimethyl-6-thioxanthine, 6-mercapto-2-keto-3,7-dimethylpurine, 3,7-dimethyl-6-sulfanylidenepurin-2-one, 3,7-dimethyl-6-sulfanylidene-purin-2-one
| Molecular Formula | C7H8N4OS |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 0.32959 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.04189 |
| Heavy Atoms | 13 |
| Complexity | 576.17053 |
Chemical Identifiers
| CAS Number | 38759-03-4 |
|---|---|
| SMILES | CN1C=NC2=C1C(=S)NC(=O)N2C |
Product Overview
3,7-Dimethyl-6-thioxanthine (CAS 38759-03-4), with molecular formula C7H8N4OS and molecular weight 196.04 g/mol. IUPAC: 3,7-dimethyl-6-sulfanylidenepurin-2-one.
Chemical Property Profile of 3,7-Dimethyl-6-thioxanthine
Property Insights of 3,7-Dimethyl-6-thioxanthine
The XLogP value of 0.32959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethyl-6-thioxanthine. With a topological polar surface area (TPSA) of 55.61 Ų, 3,7-Dimethyl-6-thioxanthine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-6-thioxanthine has 1 hydrogen bond donor(s) and 3 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 3,7-Dimethyl-6-thioxanthine?
The CAS number of 3,7-Dimethyl-6-thioxanthine is 38759-03-4.
What is the molecular formula of 3,7-Dimethyl-6-thioxanthine?
The molecular formula of 3,7-Dimethyl-6-thioxanthine is C7H8N4OS.
What is the molecular weight of 3,7-Dimethyl-6-thioxanthine?
The molecular weight of 3,7-Dimethyl-6-thioxanthine is 196.04 g/mol.
Where can I buy 3,7-Dimethyl-6-thioxanthine?
You can request a quote for 3,7-Dimethyl-6-thioxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyl-6-thioxanthine?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-6-thioxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.