![[2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate structure](/static/products/643/643760-28-5.png)
[2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate
TL;DR: [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate (CAS 643760-28-5) is a chemical compound with molecular formula C10H11FN4O2S and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluoro-6-sulfanylidene-3H-purin-9-yl)propan-2-yl acetate
Also Known As: 9-(2-acetoxypropyl)-2-fluoro-9H-purin-6-thiol, [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate, 1-(2-fluoro-6-sulfanylidene-3H-purin-9-yl)propan-2-yl acetate, 6H-Purine-6-thione, 9-[2-(acetyloxy)propyl]-2-fluoro-1,9-dihydro-
| Molecular Formula | C10H11FN4O2S |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 1.57959 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0587 |
| Heavy Atoms | 18 |
| Complexity | 650.85535 |
Chemical Identifiers
| CAS Number | 643760-28-5 |
|---|---|
| SMILES | CC(CN1C=NC2=C1NC(=NC2=S)F)OC(=O)C |
Product Overview
[2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate (CAS 643760-28-5), with molecular formula C10H11FN4O2S and molecular weight 270.06 g/mol. IUPAC: 1-(2-fluoro-6-sulfanylidene-3H-purin-9-yl)propan-2-yl acetate.
Chemical Property Profile of [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate
Property Insights of [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate
The XLogP value of 1.57959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate. Following Lipinski's Rule of Five, [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate has 1 hydrogen bond donor(s) and 5 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-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate?
The CAS number of [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate is 643760-28-5.
What is the molecular formula of [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate?
The molecular formula of [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate is C10H11FN4O2S.
What is the molecular weight of [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate?
The molecular weight of [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate is 270.06 g/mol.
Where can I buy [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate?
You can request a quote for [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-fluoro-6-thioxo-1H-purin-9-yl)-1-methyl-ethyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.