5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione
TL;DR: 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione (CAS 6960-31-2) is a chemical compound with molecular formula C5H4N4O3S and molecular weight 200.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione
Also Known As: 5-hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione, 5-hydroxy-8-thioxo-7,8-dihydro-1H-purine-2,6(3H,5H)-dione, 5-Hydroxy-8-sulfanylidene-3,5,7,8-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C5H4N4O3S |
|---|---|
| Molecular Weight | 200.00 g/mol |
| LogP | -2.199 |
| Topological Polar Surface Area | 102.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.00041 |
| Heavy Atoms | 13 |
| Complexity | 364.791 |
Chemical Identifiers
| CAS Number | 6960-31-2 |
|---|---|
| SMILES | C12=NC(=S)NC1(C(=O)NC(=O)N2)O |
Product Overview
5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione (CAS 6960-31-2), with molecular formula C5H4N4O3S and molecular weight 200.00 g/mol. IUPAC: 5-hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione.
Chemical Property Profile of 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione
Property Insights of 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione
The XLogP value of -2.199 indicates that 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione. Following Lipinski's Rule of Five, 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione has 4 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 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione?
The CAS number of 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione is 6960-31-2.
What is the molecular formula of 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione?
The molecular formula of 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione is C5H4N4O3S.
What is the molecular weight of 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione?
The molecular weight of 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione is 200.00 g/mol.
Where can I buy 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione?
You can request a quote for 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-8-sulfanylidene-3,7-dihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.