2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine
TL;DR: 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine (CAS 25950-35-0) is a chemical compound with molecular formula C11H13FN4O4S and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluoro-6-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 2-fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine, 2-(2-fluoro-6-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C11H13FN4O4S |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.06415 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 25950-35-0 |
|---|---|
| SMILES | CSC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)F |
| InChIKey | JTALKRIMXYWXKM-UHFFFAOYSA-N |
Product Overview
2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine (CAS 25950-35-0), with molecular formula C11H13FN4O4S and molecular weight 316.06 g/mol. IUPAC: 2-(2-fluoro-6-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine
Property Insights of 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine. Following Lipinski's Rule of Five, 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-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-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine?
The CAS number of 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine is 25950-35-0.
What is the molecular formula of 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine?
The molecular formula of 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine is C11H13FN4O4S.
What is the molecular weight of 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine?
The molecular weight of 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine is 316.06 g/mol.
Where can I buy 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine?
You can request a quote for 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-6-(methylsulfanyl)-9-pentofuranosyl-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.