5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
TL;DR: 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one (CAS 5254-55-7) is a chemical compound with molecular formula C9H11FN2O4S and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
Also Known As: 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one, 1-(2-Deoxypentofuranosyl)-5-fluoro-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
| Molecular Formula | C9H11FN2O4S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | -0.31431 |
| Topological Polar Surface Area | 87.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.04236 |
| Heavy Atoms | 17 |
| Complexity | 528.4625 |
Chemical Identifiers
| CAS Number | 5254-55-7 |
|---|---|
| SMILES | C1C(C(OC1N2C=C(C(=S)NC2=O)F)CO)O |
Product Overview
5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one (CAS 5254-55-7), with molecular formula C9H11FN2O4S and molecular weight 262.04 g/mol. IUPAC: 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one.
Chemical Property Profile of 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
Property Insights of 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
The XLogP value of -0.31431 indicates that 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one. Following Lipinski's Rule of Five, 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one has 3 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 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one?
The CAS number of 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one is 5254-55-7.
What is the molecular formula of 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one?
The molecular formula of 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one is C9H11FN2O4S.
What is the molecular weight of 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one?
The molecular weight of 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one is 262.04 g/mol.
Where can I buy 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one?
You can request a quote for 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.