2'-Deoxy-5-fluoro-4'-thiouridine
TL;DR: 2'-Deoxy-5-fluoro-4'-thiouridine (CAS 68660-47-9) 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-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Also Known As: 2'-Deoxy-5-fluoro-4'-thiouridine, 5-fluoro-4'-thio-2'-deoxyuridine, uridine, 2'-deoxy-5-fluoro-4'-thio-, 5-fluoro-4'-thio-2'-deoxy-uridine, 2a(2)-Deoxy-5-fluoro-4a(2)-thiouridine
| Molecular Formula | C9H11FN2O4S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.04236 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 68660-47-9 |
|---|---|
| SMILES | C1[C@@H]([C@H](S[C@H]1N2C=C(C(=O)NC2=O)F)CO)O |
| InChIKey | HATHUUNZZPIWIN-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Deoxy-5-fluoro-4'-thiouridine (CAS 68660-47-9), with molecular formula C9H11FN2O4S and molecular weight 262.04 g/mol. IUPAC: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 2'-Deoxy-5-fluoro-4'-thiouridine
Property Insights of 2'-Deoxy-5-fluoro-4'-thiouridine
The XLogP value of -0.4 indicates that 2'-Deoxy-5-fluoro-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-fluoro-4'-thiouridine. Following Lipinski's Rule of Five, 2'-Deoxy-5-fluoro-4'-thiouridine has 3 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'-Deoxy-5-fluoro-4'-thiouridine?
The CAS number of 2'-Deoxy-5-fluoro-4'-thiouridine is 68660-47-9.
What is the molecular formula of 2'-Deoxy-5-fluoro-4'-thiouridine?
The molecular formula of 2'-Deoxy-5-fluoro-4'-thiouridine is C9H11FN2O4S.
What is the molecular weight of 2'-Deoxy-5-fluoro-4'-thiouridine?
The molecular weight of 2'-Deoxy-5-fluoro-4'-thiouridine is 262.04 g/mol.
Where can I buy 2'-Deoxy-5-fluoro-4'-thiouridine?
You can request a quote for 2'-Deoxy-5-fluoro-4'-thiouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-5-fluoro-4'-thiouridine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-fluoro-4'-thiouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.