![2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate structure](/static/products/643/643760-29-6.png)
2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate
TL;DR: 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate (CAS 643760-29-6) is a chemical compound with molecular formula C10H11FN4O3S and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluoro-6-sulfanylidene-3H-purin-9-yl)methoxy]ethyl acetate
Also Known As: 2-((2-fluoro-6-mercapto-9H-purin-9-yl)methoxy)ethyl acetate, 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate, 2-[(2-fluoro-6-sulfanylidene-3H-purin-9-yl)methoxy]ethyl acetate, 6H-Purine-6-thione, 9-[[2-(acetyloxy)ethoxy]methyl]-2-fluoro-1,9-dihydro-
| Molecular Formula | C10H11FN4O3S |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 1.16519 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.0536 |
| Heavy Atoms | 19 |
| Complexity | 653.75244 |
Chemical Identifiers
| CAS Number | 643760-29-6 |
|---|---|
| SMILES | CC(=O)OCCOCN1C=NC2=C1NC(=NC2=S)F |
Product Overview
2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate (CAS 643760-29-6), with molecular formula C10H11FN4O3S and molecular weight 286.05 g/mol. IUPAC: 2-[(2-fluoro-6-sulfanylidene-3H-purin-9-yl)methoxy]ethyl acetate.
Chemical Property Profile of 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate
Property Insights of 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate
The XLogP value of 1.16519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate. Following Lipinski's Rule of Five, 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate has 1 hydrogen bond donor(s) and 6 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)methoxy]ethyl acetate?
The CAS number of 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate is 643760-29-6.
What is the molecular formula of 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate?
The molecular formula of 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate is C10H11FN4O3S.
What is the molecular weight of 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate?
The molecular weight of 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate is 286.05 g/mol.
Where can I buy 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate?
You can request a quote for 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]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)methoxy]ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-fluoro-6-thioxo-1H-purin-9-yl)methoxy]ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.