6,8-Dimercapto-2-hydroxypurine
TL;DR: 6,8-Dimercapto-2-hydroxypurine (CAS 91113-94-9) is a chemical compound with molecular formula C5H4N4OS2 and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-bis(sulfanylidene)-7,9-dihydro-3H-purin-2-one
Also Known As: 6,8-dithiouric acid, 6,8-dimercapto-2-hydroxypurine, 6,8-Dimercapto-7H-purin-2-ol, 6,8-dimercapto-9H-purin-2-ol, 6,8-disulfanylidene-7,9-dihydro-3H-purin-2-one
| Molecular Formula | C5H4N4OS2 |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 0.97138 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.98265 |
| Heavy Atoms | 12 |
| Complexity | 585.4945 |
Chemical Identifiers
| CAS Number | 91113-94-9 |
|---|---|
| SMILES | C12=C(NC(=O)NC1=S)NC(=S)N2 |
Product Overview
6,8-Dimercapto-2-hydroxypurine (CAS 91113-94-9), with molecular formula C5H4N4OS2 and molecular weight 199.98 g/mol. IUPAC: 6,8-bis(sulfanylidene)-7,9-dihydro-3H-purin-2-one.
Chemical Property Profile of 6,8-Dimercapto-2-hydroxypurine
Property Insights of 6,8-Dimercapto-2-hydroxypurine
The XLogP value of 0.97138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dimercapto-2-hydroxypurine. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,8-Dimercapto-2-hydroxypurine. Following Lipinski's Rule of Five, 6,8-Dimercapto-2-hydroxypurine has 4 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 6,8-Dimercapto-2-hydroxypurine?
The CAS number of 6,8-Dimercapto-2-hydroxypurine is 91113-94-9.
What is the molecular formula of 6,8-Dimercapto-2-hydroxypurine?
The molecular formula of 6,8-Dimercapto-2-hydroxypurine is C5H4N4OS2.
What is the molecular weight of 6,8-Dimercapto-2-hydroxypurine?
The molecular weight of 6,8-Dimercapto-2-hydroxypurine is 199.98 g/mol.
Where can I buy 6,8-Dimercapto-2-hydroxypurine?
You can request a quote for 6,8-Dimercapto-2-hydroxypurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dimercapto-2-hydroxypurine?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dimercapto-2-hydroxypurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.