9-Hexofuranosyl-9H-purine-6-thiol
TL;DR: 9-Hexofuranosyl-9H-purine-6-thiol (CAS 3495-99-6) is a chemical compound with molecular formula C11H14N4O5S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]-3H-purine-6-thione
Also Known As: 9-Hexofuranosyl-9H-purine-6-thiol, 9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]-3H-purine-6-thione
| Molecular Formula | C11H14N4O5S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | -1.53871 |
| Topological Polar Surface Area | 136.65 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.06848 |
| Heavy Atoms | 21 |
| Complexity | 703.2236 |
Chemical Identifiers
| CAS Number | 3495-99-6 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)C(CO)O)O)O |
Product Overview
9-Hexofuranosyl-9H-purine-6-thiol (CAS 3495-99-6), with molecular formula C11H14N4O5S and molecular weight 314.07 g/mol. IUPAC: 9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]-3H-purine-6-thione.
Chemical Property Profile of 9-Hexofuranosyl-9H-purine-6-thiol
Property Insights of 9-Hexofuranosyl-9H-purine-6-thiol
The XLogP value of -1.53871 indicates that 9-Hexofuranosyl-9H-purine-6-thiol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Hexofuranosyl-9H-purine-6-thiol. Following Lipinski's Rule of Five, 9-Hexofuranosyl-9H-purine-6-thiol has 5 hydrogen bond donor(s) and 8 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-Hexofuranosyl-9H-purine-6-thiol?
The CAS number of 9-Hexofuranosyl-9H-purine-6-thiol is 3495-99-6.
What is the molecular formula of 9-Hexofuranosyl-9H-purine-6-thiol?
The molecular formula of 9-Hexofuranosyl-9H-purine-6-thiol is C11H14N4O5S.
What is the molecular weight of 9-Hexofuranosyl-9H-purine-6-thiol?
The molecular weight of 9-Hexofuranosyl-9H-purine-6-thiol is 314.07 g/mol.
Where can I buy 9-Hexofuranosyl-9H-purine-6-thiol?
You can request a quote for 9-Hexofuranosyl-9H-purine-6-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hexofuranosyl-9H-purine-6-thiol?
Yes, KEHONG BIO provides custom synthesis services for 9-Hexofuranosyl-9H-purine-6-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.