1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione
TL;DR: 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione (CAS 95740-25-3) is a chemical compound with molecular formula C14H19FN2O5S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(trimethyl-λ4-sulfanyl)ethynyl]pyrimidine-2,4-dione
Also Known As: 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione, 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(trimethyl-, 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-[(trimethyl-lambda~4~-sulfanyl)ethynyl]pyrimidine-2,4(1H,3H)-dione, 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[2-(trimethyl-$l^{4}-sulfanyl)ethynyl]pyrimidine-2,4-dione
| Molecular Formula | C14H19FN2O5S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.09988 |
| Heavy Atoms | 23 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 95740-25-3 |
|---|---|
| SMILES | CS(C)(C)C#CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F |
| InChIKey | QWBSNUBFTGFUNX-LSCVPOLPSA-N |
Product Overview
1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione (CAS 95740-25-3), with molecular formula C14H19FN2O5S and molecular weight 346.10 g/mol. IUPAC: 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(trimethyl-λ4-sulfanyl)ethynyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione
Property Insights of 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione
The XLogP value of -0.1 indicates that 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione has 3 hydrogen bond donor(s) and 7 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 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione?
The CAS number of 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione is 95740-25-3.
What is the molecular formula of 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione?
The molecular formula of 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione is C14H19FN2O5S.
What is the molecular weight of 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione?
The molecular weight of 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione is 346.10 g/mol.
Where can I buy 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione?
You can request a quote for 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(trimethyl-l4-sulfanylethynyl)-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.