9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione
TL;DR: 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione (CAS 18520-79-1) is a chemical compound with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione
Also Known As: 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione, 9-Pentopyranosyl-9H-purine-6-thiol, 2-(6-sulfanylpurin-9-yl)oxane-3,4,5-triol, 9H-Purine-6-thiol, 9-b-D-xylopyranosyl- (8CI), 2-[6-(AMINO-NITROSO-METHYLIDENE)-1H-PURIN-9-YL]-5-(HYDROXYMETHYL)OXOLA NE-3,4-DIOL
| Molecular Formula | C10H12N4O4S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | -0.89961 |
| Topological Polar Surface Area | 116.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.05792 |
| Heavy Atoms | 19 |
| Complexity | 656.2622 |
Chemical Identifiers
| CAS Number | 18520-79-1 |
|---|---|
| SMILES | C1C(C(C(C(O1)N2C=NC3=C2NC=NC3=S)O)O)O |
Product Overview
9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione (CAS 18520-79-1), with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol. IUPAC: 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione.
Chemical Property Profile of 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione
Property Insights of 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione
The XLogP value of -0.89961 indicates that 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione. Following Lipinski's Rule of Five, 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione has 4 hydrogen bond donor(s) and 7 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 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione?
The CAS number of 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione is 18520-79-1.
What is the molecular formula of 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione?
The molecular formula of 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione is C10H12N4O4S.
What is the molecular weight of 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione?
The molecular weight of 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione is 284.06 g/mol.
Where can I buy 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione?
You can request a quote for 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.