2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine
TL;DR: 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine (CAS 16797-71-0) is a chemical compound with molecular formula C12H16N4O4S2 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,6-bis(methylsulfanyl)purin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 2,6-bis(methylsulfanyl)-7-pentofuranosyl-7h-purine, 2-[2,6-bis(methylsulfanyl)purin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C12H16N4O4S2 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0613 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 16797-71-0 |
|---|---|
| SMILES | CSC1=NC(=NC2=C1N(C=N2)C3C(C(C(O3)CO)O)O)SC |
| InChIKey | ZKGICXHRLZUUHN-UHFFFAOYSA-N |
Product Overview
2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine (CAS 16797-71-0), with molecular formula C12H16N4O4S2 and molecular weight 344.06 g/mol. IUPAC: 2-[2,6-bis(methylsulfanyl)purin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine
Property Insights of 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine. The TPSA of 164.0 Ų indicates high polarity, suggesting 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine has 3 hydrogen bond donor(s) and 9 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 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine?
The CAS number of 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine is 16797-71-0.
What is the molecular formula of 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine?
The molecular formula of 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine is C12H16N4O4S2.
What is the molecular weight of 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine?
The molecular weight of 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine is 344.06 g/mol.
Where can I buy 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine?
You can request a quote for 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(methylsulfanyl)-7-pentofuranosyl-7h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.