2'-Deoxy-5-ethynyl-4'-thiouridine
TL;DR: 2'-Deoxy-5-ethynyl-4'-thiouridine (CAS 134700-06-4) is a chemical compound with molecular formula C11H12N2O4S and molecular weight 268.0518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Also Known As: 2'-Deoxy-5-ethynyl-4'-thiouridine, uridine, 2'-deoxy-5-ethynyl-4'-thio-, 1-(2-Deoxy-4-thio-beta-D-erythro-pentofuranosyl)-5-ethynyluracil, 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione, 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12N2O4S |
| Molecular Weight | 268.0518 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0518 Da |
| Heavy Atoms | 18 |
| Complexity | 467.0 |
| SMILES | C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O |
| InChIKey | PIJIKFZUICMOIF-DJLDLDEBSA-N |
Chemical Property Profile of 2'-Deoxy-5-ethynyl-4'-thiouridine
Property Insights of 2'-Deoxy-5-ethynyl-4'-thiouridine
The XLogP value of -0.3 indicates that 2'-Deoxy-5-ethynyl-4'-thiouridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-5-ethynyl-4'-thiouridine. Following Lipinski's Rule of Five, 2'-Deoxy-5-ethynyl-4'-thiouridine 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
What is the CAS number of 2'-Deoxy-5-ethynyl-4'-thiouridine?
The CAS number of 2'-Deoxy-5-ethynyl-4'-thiouridine is 134700-06-4.
What is the molecular formula of 2'-Deoxy-5-ethynyl-4'-thiouridine?
The molecular formula of 2'-Deoxy-5-ethynyl-4'-thiouridine is C11H12N2O4S.
What is the molecular weight of 2'-Deoxy-5-ethynyl-4'-thiouridine?
The molecular weight of 2'-Deoxy-5-ethynyl-4'-thiouridine is 268.0518 g/mol.
Where can I buy 2'-Deoxy-5-ethynyl-4'-thiouridine?
You can request a quote for 2'-Deoxy-5-ethynyl-4'-thiouridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2'-Deoxy-5-ethynyl-4'-thiouridine?
Yes, CoreyChem provides custom synthesis services for 2'-Deoxy-5-ethynyl-4'-thiouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.